1-nitro-6-(phenylmethyl)-6-(2-piperidin-4-ylphenyl)cyclohexa-2,4-dien-1-amine

Systemtic Name: 1-nitro-6-(phenylmethyl)-6-(2-piperidin-4-ylphenyl)cyclohexa-2,4-dien-1-amine Openeye Name: 6-benzyl-1-nitro-6-[2-(4-piperidyl)phenyl]cyclohexa-2,4-dien-1-amine CAS Name: 1-nitro-6-(phenylmethyl)-6-[2-(4-piperidinyl)phenyl]-1-cyclohexa-2,4-dienamine IUPAC Name: 6-benzyl-1-nitro-6-(2-piperidin-4-ylphenyl)cyclohexa-2,4-dien-1-amine Traditional Name: [6-benzyl-1-nitro-6-[2-(4-piperidyl)phenyl]cyclohexa-2,4-dien-1-yl]amine Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CC=CC=C2C3(C=CC=CC3(N)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CNCCC1C2=CC=CC=C2C3(C=CC=CC3(N)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c25-24(27(28)29)15-7-6-14-23(24,18-19-8-2-1-3-9-19)22-11-5-4-10-21(22)20-12-16-26-17-13-20/h1-11,14-15,20,26H,12-13,16-18,25H2