12-methoxy-8-propyl-5,6,14,14a-tetrahydroisoquinolino[2,1-c][1,3]benzodiazepine

Systemtic Name: 12-methoxy-8-propyl-5,6,14,14a-tetrahydroisoquinolino[2,1-c][1,3]benzodiazepine Openeye Name: 12-methoxy-8-propyl-5,6,14,14a-tetrahydroisoquinolino[2,1-c][1,3]benzodiazepine CAS Name: 12-methoxy-8-propyl-5,6,14,14a-tetrahydroisoquinolino[2,1-c][1,3]benzodiazepine IUPAC Name: 12-methoxy-8-propyl-5,6,14,14a-tetrahydroisoquinolino[2,1-c][1,3]benzodiazepine Traditional Name: 12-methoxy-8-propyl-5,6,14,14a-tetrahydroisoquinolino[2,1-c][1,3]benzodiazepine Formula: C21H24N2O MolecularWeight: 320.42806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(CC3N1CCC4=CC=CC=C34)C=C(C=C2)OC

Isomeric SMILES

CCCC1=NC2=C(CC3N1CCC4=CC=CC=C34)C=C(C=C2)OC

InChI

InChI=1S/C21H24N2O/c1-3-6-21-22-19-10-9-17(24-2)13-16(19)14-20-18-8-5-4-7-15(18)11-12-23(20)21/h4-5,7-10,13,20H,3,6,11-12,14H2,1-2H3