3-(7,8-dimethoxy-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(7,8-dimethoxy-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(2-keto-7,8-dimethoxy-1-propyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCCN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H21N3O3/c1-4-8-24-17-11-19(27-3)18(26-2)10-16(17)21(23-13-20(24)25)15-7-5-6-14(9-15)12-22/h5-7,9-11H,4,8,13H2,1-3H3