4-[[4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(3-methyl-1-piperidyl)-3-nitro-benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(3-methylpiperidino)-3-nitro-benzoyl]piperazino]methyl]benzonitrile Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O3/c1-19-3-2-10-29(17-19)23-9-8-22(15-24(23)30(32)33)25(31)28-13-11-27(12-14-28)18-21-6-4-20(16-26)5-7-21/h4-9,15,19H,2-3,10-14,17-18H2,1H3