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

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)carbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Openeye Name: 4-(4-chloro-2-nitro-benzoyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one CAS Name: 4-[(4-chloro-2-nitrophenyl)-oxomethyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-chloro-2-nitrobenzoyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Traditional Name: 4-(4-chloro-2-nitro-benzoyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Formula: C27H26ClN5O4 MolecularWeight: 519.97944

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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)[N+](=O)[O-])C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2C(=O)CN(CC3=CC=CC=C32)C(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C5=CC=NC=C5

InChI

InChI=1S/C27H26ClN5O4/c28-21-5-6-23(25(15-21)33(36)37)27(35)31-17-20-3-1-2-4-24(20)32(26(34)18-31)16-19-9-13-30(14-10-19)22-7-11-29-12-8-22/h1-8,11-12,15,19H,9-10,13-14,16-18H2