[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: [4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-(3-nitro-4-piperidino-phenyl)methanone Formula: C24H29FN4O3 MolecularWeight: 440.510463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C24H29FN4O3/c25-21-8-5-19(6-9-21)18-26-11-4-14-28(16-15-26)24(30)20-7-10-22(23(17-20)29(31)32)27-12-2-1-3-13-27/h5-10,17H,1-4,11-16,18H2