2-(7-chloranyl-2-oxidanylidene-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)ethanenitrile

Systemtic Name: 2-(7-chloranyl-2-oxidanylidene-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)ethanenitrile Openeye Name: 2-(7-chloro-2-oxo-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)acetonitrile CAS Name: 2-(7-chloro-2-oxo-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)acetonitrile IUPAC Name: 2-(7-chloro-2-oxo-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)acetonitrile Traditional Name: 2-(7-chloro-2-keto-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)acetonitrile Formula: C20H18ClN3O MolecularWeight: 351.82942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC#N

Isomeric SMILES

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC#N

InChI

InChI=1S/C20H18ClN3O/c1-2-6-17-20(25)24(12-11-22)18-10-9-15(21)13-16(18)19(23-17)14-7-4-3-5-8-14/h3-5,7-10,13,17H,2,6,12H2,1H3