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

Systemtic Name: 5-(4-fluorophenyl)-7-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 5-(4-fluorophenyl)-7-methyl-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 5-(4-fluorophenyl)-7-methyl-4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 5-(4-fluorophenyl)-7-methyl-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 5-(4-fluorophenyl)-7-methyl-4-(4-pyrrolidinosulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H26FN3O4S MolecularWeight: 507.576443

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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)N5CCCC5

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)N5CCCC5

InChI

InChI=1S/C27H26FN3O4S/c1-18-4-13-24-23(16-18)26(19-5-9-21(28)10-6-19)31(17-25(32)29-24)27(33)20-7-11-22(12-8-20)36(34,35)30-14-2-3-15-30/h4-13,16,26H,2-3,14-15,17H2,1H3,(H,29,32)