3-[8-(2-fluoranyl-6-methoxy-phenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[8-(2-fluoranyl-6-methoxy-phenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-fluoro-6-methoxy-phenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(2-fluoro-6-methoxyphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-(2-fluoro-6-methoxyphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-(2-fluoro-6-methoxy-phenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C23H16FN3O2 MolecularWeight: 385.390443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)F)C2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=C(C(=CC=C1)F)C2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H16FN3O2/c1-29-21-7-3-6-17(24)23(21)16-8-9-18-20(11-16)27-22(28)12-19(26-18)15-5-2-4-14(10-15)13-25/h2-11H,12H2,1H3,(H,27,28)