4-[3-(4-methylpiperidin-1-yl)propylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[3-(4-methylpiperidin-1-yl)propylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[3-(4-methyl-1-piperidyl)propylamino]-3-nitro-benzonitrile CAS Name: 4-[3-(4-methyl-1-piperidinyl)propylamino]-3-nitrobenzonitrile IUPAC Name: 4-[3-(4-methylpiperidin-1-yl)propylamino]-3-nitrobenzonitrile Traditional Name: 4-[3-(4-methylpiperidino)propylamino]-3-nitro-benzonitrile Formula: C16H22N4O2 MolecularWeight: 302.37148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)CCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O2/c1-13-5-9-19(10-6-13)8-2-7-18-15-4-3-14(12-17)11-16(15)20(21)22/h3-4,11,13,18H,2,5-10H2,1H3