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

Systemtic Name: 3-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]benzenecarbonitrile Openeye Name: 4-[(1-benzyl-4-piperidyl)amino]-3-nitro-benzonitrile CAS Name: 3-nitro-4-[[1-(phenylmethyl)-4-piperidinyl]amino]benzonitrile IUPAC Name: 4-[(1-benzylpiperidin-4-yl)amino]-3-nitrobenzonitrile Traditional Name: 4-[(1-benzyl-4-piperidyl)amino]-3-nitro-benzonitrile Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2/c20-13-16-6-7-18(19(12-16)23(24)25)21-17-8-10-22(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,21H,8-11,14H2