4-(4-chloranyl-2-fluoranyl-phenyl)carbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 4-(4-chloranyl-2-fluoranyl-phenyl)carbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Openeye Name: 4-(4-chloro-2-fluoro-benzoyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one CAS Name: 4-[(4-chloro-2-fluorophenyl)-oxomethyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-chloro-2-fluorobenzoyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Traditional Name: 4-(4-chloro-2-fluoro-benzoyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Formula: C27H26ClFN4O2 MolecularWeight: 492.972343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)CN(CC3=CC=CC=C32)C(=O)C4=C(C=C(C=C4)Cl)F)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2C(=O)CN(CC3=CC=CC=C32)C(=O)C4=C(C=C(C=C4)Cl)F)C5=CC=NC=C5

InChI

InChI=1S/C27H26ClFN4O2/c28-21-5-6-23(24(29)15-21)27(35)32-17-20-3-1-2-4-25(20)33(26(34)18-32)16-19-9-13-31(14-10-19)22-7-11-30-12-8-22/h1-8,11-12,15,19H,9-10,13-14,16-18H2