3-[3-(cyclopropylmethyl)-1-ethyl-6,8-dimethoxy-2-oxidanylidene-7-phenyl-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[3-(cyclopropylmethyl)-1-ethyl-6,8-dimethoxy-2-oxidanylidene-7-phenyl-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[3-(cyclopropylmethyl)-1-ethyl-6,8-dimethoxy-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[3-(cyclopropylmethyl)-1-ethyl-6,8-dimethoxy-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[3-(cyclopropylmethyl)-1-ethyl-6,8-dimethoxy-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[3-(cyclopropylmethyl)-1-ethyl-2-keto-6,8-dimethoxy-7-phenyl-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C30H29N3O3 MolecularWeight: 479.56956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C(=C2C(=NC(C1=O)CC3CC3)C4=CC=CC(=C4)C#N)OC)C5=CC=CC=C5)OC

Isomeric SMILES

CCN1C2=CC(=C(C(=C2C(=NC(C1=O)CC3CC3)C4=CC=CC(=C4)C#N)OC)C5=CC=CC=C5)OC

InChI

InChI=1S/C30H29N3O3/c1-4-33-24-17-25(35-2)26(21-10-6-5-7-11-21)29(36-3)27(24)28(22-12-8-9-20(15-22)18-31)32-23(30(33)34)16-19-13-14-19/h5-12,15,17,19,23H,4,13-14,16H2,1-3H3