[1-[4-(azepan-1-yl)-3-nitro-phenyl]carbonylpiperidin-4-yl]-phenyl-methanone

Systemtic Name: [1-[4-(azepan-1-yl)-3-nitro-phenyl]carbonylpiperidin-4-yl]-phenyl-methanone Openeye Name: [1-[4-(azepan-1-yl)-3-nitro-benzoyl]-4-piperidyl]-phenyl-methanone CAS Name: [1-[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]-4-piperidinyl]-phenylmethanone IUPAC Name: [1-[4-(azepan-1-yl)-3-nitrobenzoyl]piperidin-4-yl]-phenylmethanone Traditional Name: [1-[4-(azepan-1-yl)-3-nitro-benzoyl]-4-piperidyl]-phenyl-methanone Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O4/c29-24(19-8-4-3-5-9-19)20-12-16-27(17-13-20)25(30)21-10-11-22(23(18-21)28(31)32)26-14-6-1-2-7-15-26/h3-5,8-11,18,20H,1-2,6-7,12-17H2