2-[(1-ethyl-7,8-dimethoxy-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(1-ethyl-7,8-dimethoxy-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(1-ethyl-7,8-dimethoxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzonitrile CAS Name: 2-[(1-ethyl-7,8-dimethoxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzonitrile IUPAC Name: 2-[(1-ethyl-7,8-dimethoxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzonitrile Traditional Name: 2-[(1-ethyl-2-keto-7,8-dimethoxy-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzonitrile Formula: C27H25N3O3 MolecularWeight: 439.5057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=NC(C1=O)CC3=CC=CC=C3C#N)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=NC(C1=O)CC3=CC=CC=C3C#N)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H25N3O3/c1-4-30-23-16-25(33-3)24(32-2)15-21(23)26(18-10-6-5-7-11-18)29-22(27(30)31)14-19-12-8-9-13-20(19)17-28/h5-13,15-16,22H,4,14H2,1-3H3