3-nitro-4-[[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]amino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]amino]benzenecarbonitrile Openeye Name: 4-[[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]amino]-3-nitro-benzonitrile CAS Name: 3-nitro-4-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]amino]benzonitrile IUPAC Name: 4-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[2-(4-benzylpiperidino)-2-keto-ethyl]amino]-3-nitro-benzonitrile Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c22-14-18-6-7-19(20(13-18)25(27)28)23-15-21(26)24-10-8-17(9-11-24)12-16-4-2-1-3-5-16/h1-7,13,17,23H,8-12,15H2