3-[8-methoxy-1-methyl-2-oxidanylidene-7-(2-propan-2-yloxyphenyl)-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2=CC3=C(C=C2OC)N(C(=O)CN=C3C4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2=CC3=C(C=C2OC)N(C(=O)CN=C3C4=CC=CC(=C4)C#N)C

InChI

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