Description
IUPAC Name: (1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
InChI: InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1
InChIKey: TXDUTHBFYKGSAH-SFHVURJKSA-N
Canonical SMILES: CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Isomeric SMILES: CN1[C@@H]2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Synonyms: Evodiamine; 518-17-2; (+)-Evodiamine; d-Evodiamine; Evodiamine, (+)-; CHEBI:4948; C01825BVNL; CHEMBL463165; …
Botanical Source: Euodiae fructus