N-[[2-cyclohexyl-3-[[(phenylmethyl)amino]methyl]phenyl]methyl]-4-nitro-aniline

Systemtic Name: N-[[2-cyclohexyl-3-[[(phenylmethyl)amino]methyl]phenyl]methyl]-4-nitro-aniline Openeye Name: N-[[3-[(benzylamino)methyl]-2-cyclohexyl-phenyl]methyl]-4-nitro-aniline CAS Name: N-[[2-cyclohexyl-3-[[(phenylmethyl)amino]methyl]phenyl]methyl]-4-nitroaniline IUPAC Name: N-[[3-[(benzylamino)methyl]-2-cyclohexylphenyl]methyl]-4-nitroaniline Traditional Name: benzyl-[2-cyclohexyl-3-[(4-nitroanilino)methyl]benzyl]amine Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=CC=C2CNCC3=CC=CC=C3)CNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=C(C=CC=C2CNCC3=CC=CC=C3)CNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H31N3O2/c31-30(32)26-16-14-25(15-17-26)29-20-24-13-7-12-23(27(24)22-10-5-2-6-11-22)19-28-18-21-8-3-1-4-9-21/h1,3-4,7-9,12-17,22,28-29H,2,5-6,10-11,18-20H2