3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanenitrile

Systemtic Name: 3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanenitrile Openeye Name: 3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile CAS Name: 3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile IUPAC Name: 3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile Traditional Name: 3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-keto-3H-1,4-benzodiazepin-1-yl]propionitrile Formula: C27H21FN4O MolecularWeight: 436.480243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CCC#N

InChI

InChI=1S/C27H21FN4O/c28-22-11-4-1-9-20(22)26-21-10-3-6-13-25(21)32(15-7-14-29)27(33)24(31-26)16-18-17-30-23-12-5-2-8-19(18)23/h1-6,8-13,17,24,30H,7,15-16H2