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

Systemtic Name: 3-[7-(2-methoxyphenyl)-1-methyl-2-oxidanylidene-8-phenoxy-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[7-(2-methoxyphenyl)-1-methyl-2-oxo-8-phenoxy-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[7-(2-methoxyphenyl)-1-methyl-2-oxo-8-phenoxy-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[7-(2-methoxyphenyl)-1-methyl-2-oxo-8-phenoxy-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[2-keto-7-(2-methoxyphenyl)-1-methyl-8-phenoxy-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C30H23N3O3 MolecularWeight: 473.52192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3OC)OC4=CC=CC=C4)C5=CC=CC(=C5)C#N

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3OC)OC4=CC=CC=C4)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C30H23N3O3/c1-33-26-17-28(36-22-11-4-3-5-12-22)24(23-13-6-7-14-27(23)35-2)16-25(26)30(32-19-29(33)34)21-10-8-9-20(15-21)18-31/h3-17H,19H2,1-2H3