9-chloranyl-3-phenethyl-7-phenyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine

Systemtic Name: 9-chloranyl-3-phenethyl-7-phenyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine Openeye Name: 9-chloro-3-phenethyl-7-phenyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine CAS Name: 9-chloro-3-phenethyl-7-phenyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine IUPAC Name: 9-chloro-3-phenethyl-7-phenyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine Traditional Name: 9-chloro-3-phenethyl-7-phenyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine Formula: C26H26ClN3 MolecularWeight: 415.95774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)CN1CCC5=CC=CC=C5

Isomeric SMILES

C1CN2C(CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)CN1CCC5=CC=CC=C5

InChI

InChI=1S/C26H26ClN3/c27-22-11-12-25-24(17-22)26(21-9-5-2-6-10-21)28-18-23-19-29(15-16-30(23)25)14-13-20-7-3-1-4-8-20/h1-12,17,23H,13-16,18-19H2