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

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-nitro-N-propyl-aniline Openeye Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-nitro-N-propyl-aniline CAS Name: 4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-nitro-N-propylaniline IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-nitro-N-propylaniline Traditional Name: [4-[(4-benzhydrylpiperazino)methyl]-2-nitro-phenyl]-propyl-amine Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O2/c1-2-15-28-25-14-13-22(20-26(25)31(32)33)21-29-16-18-30(19-17-29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,20,27-28H,2,15-19,21H2,1H3