3-[8-(4-ethylphenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[8-(4-ethylphenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-(4-ethylphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(4-ethylphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-(4-ethylphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-(4-ethylphenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C24H19N3O MolecularWeight: 365.42716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H19N3O/c1-2-16-6-8-18(9-7-16)19-10-11-21-23(13-19)27-24(28)14-22(26-21)20-5-3-4-17(12-20)15-25/h3-13H,2,14H2,1H3,(H,27,28)