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

Systemtic Name: 12-bromanyl-8-butyl-5,6,14,14a-tetrahydroisoquinolino[2,1-c][1,3]benzodiazepine Openeye Name: 12-bromo-8-butyl-5,6,14,14a-tetrahydroisoquinolino[2,1-c][1,3]benzodiazepine CAS Name: 12-bromo-8-butyl-5,6,14,14a-tetrahydroisoquinolino[2,1-c][1,3]benzodiazepine IUPAC Name: 12-bromo-8-butyl-5,6,14,14a-tetrahydroisoquinolino[2,1-c][1,3]benzodiazepine Traditional Name: 12-bromo-8-butyl-5,6,14,14a-tetrahydroisoquinolino[2,1-c][1,3]benzodiazepine Formula: C21H23BrN2 MolecularWeight: 383.32472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(CC3N1CCC4=CC=CC=C34)C=C(C=C2)Br

Isomeric SMILES

CCCCC1=NC2=C(CC3N1CCC4=CC=CC=C34)C=C(C=C2)Br

InChI

InChI=1S/C21H23BrN2/c1-2-3-8-21-23-19-10-9-17(22)13-16(19)14-20-18-7-5-4-6-15(18)11-12-24(20)21/h4-7,9-10,13,20H,2-3,8,11-12,14H2,1H3