4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-nitro-N-pentyl-aniline

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-nitro-N-pentyl-aniline Openeye Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-nitro-N-pentyl-aniline CAS Name: 4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-nitro-N-pentylaniline IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-nitro-N-pentylaniline Traditional Name: amyl-[4-[(4-benzhydrylpiperazino)methyl]-2-nitro-phenyl]amine Formula: C29H36N4O2 MolecularWeight: 472.62174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H36N4O2/c1-2-3-10-17-30-27-16-15-24(22-28(27)33(34)35)23-31-18-20-32(21-19-31)29(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-16,22,29-30H,2-3,10,17-21,23H2,1H3