5-[8-(2-fluorophenyl)-7-methoxy-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[8-(2-fluorophenyl)-7-methoxy-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-2-carbonitrile Openeye Name: 5-[8-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-2-carbonitrile CAS Name: 5-[8-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[8-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-2-carbonitrile Traditional Name: 5-[8-(2-fluorophenyl)-2-keto-7-methoxy-1,3-dihydro-1,5-benzodiazepin-4-yl]thiophene-2-carbonitrile Formula: C21H14FN3O2S MolecularWeight: 391.418163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C3=CC=CC=C3F)NC(=O)CC(=N2)C4=CC=C(S4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1C3=CC=CC=C3F)NC(=O)CC(=N2)C4=CC=C(S4)C#N

InChI

InChI=1S/C21H14FN3O2S/c1-27-19-9-17-16(8-14(19)13-4-2-3-5-15(13)22)25-21(26)10-18(24-17)20-7-6-12(11-23)28-20/h2-9H,10H2,1H3,(H,25,26)