[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(3-methyl-1-piperidyl)-3-nitro-phenyl]methanone CAS Name: [4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(3-methylpiperidino)-3-nitro-phenyl]methanone Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O3/c1-20-7-5-13-28(18-20)23-11-10-22(17-24(23)29(31)32)25(30)27-14-6-12-26(15-16-27)19-21-8-3-2-4-9-21/h2-4,8-11,17,20H,5-7,12-16,18-19H2,1H3