5-(4-fluorophenyl)-7-methyl-4-(4-piperidin-1-ylsulfonylphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(4-fluorophenyl)-7-methyl-4-(4-piperidin-1-ylsulfonylphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 5-(4-fluorophenyl)-7-methyl-4-[4-(1-piperidylsulfonyl)benzoyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 5-(4-fluorophenyl)-7-methyl-4-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 5-(4-fluorophenyl)-7-methyl-4-(4-piperidin-1-ylsulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 5-(4-fluorophenyl)-7-methyl-4-(4-piperidinosulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C28H28FN3O4S MolecularWeight: 521.603023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C28H28FN3O4S/c1-19-5-14-25-24(17-19)27(20-6-10-22(29)11-7-20)32(18-26(33)30-25)28(34)21-8-12-23(13-9-21)37(35,36)31-15-3-2-4-16-31/h5-14,17,27H,2-4,15-16,18H2,1H3,(H,30,33)