3-[8-methoxy-7-(2-methoxyphenyl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3OC)OC)C4=CC=CC(=C4)C#N

Isomeric SMILES

CCCN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3OC)OC)C4=CC=CC(=C4)C#N

InChI

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