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

Systemtic Name: 9-chloranyl-7-phenyl-3-prop-2-enyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine Openeye Name: 3-allyl-9-chloro-7-phenyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine CAS Name: 9-chloro-7-phenyl-3-prop-2-enyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine IUPAC Name: 9-chloro-7-phenyl-3-prop-2-enyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine Traditional Name: 3-allyl-9-chloro-7-phenyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine Formula: C21H22ClN3 MolecularWeight: 351.87248

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN2C(C1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C=CCN1CCN2C(C1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3/c1-2-10-24-11-12-25-18(15-24)14-23-21(16-6-4-3-5-7-16)19-13-17(22)8-9-20(19)25/h2-9,13,18H,1,10-12,14-15H2