2-nitro-4-[1-(phenylmethyl)piperidin-4-yl]but-1-ene-1,1-diamine

Systemtic Name: 2-nitro-4-[1-(phenylmethyl)piperidin-4-yl]but-1-ene-1,1-diamine Openeye Name: 4-(1-benzyl-4-piperidyl)-2-nitro-but-1-ene-1,1-diamine CAS Name: 2-nitro-4-[1-(phenylmethyl)-4-piperidinyl]-1-butene-1,1-diamine IUPAC Name: 4-(1-benzylpiperidin-4-yl)-2-nitrobut-1-ene-1,1-diamine Traditional Name: [1-amino-4-(1-benzyl-4-piperidyl)-2-nitro-but-1-enyl]amine Formula: C16H24N4O2 MolecularWeight: 304.38736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=C(N)N)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1CCC(=C(N)N)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C16H24N4O2/c17-16(18)15(20(21)22)7-6-13-8-10-19(11-9-13)12-14-4-2-1-3-5-14/h1-5,13H,6-12,17-18H2