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

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-2-nitro-aniline Openeye Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(2-methoxyethyl)-2-nitro-aniline CAS Name: 4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-N-(2-methoxyethyl)-2-nitroaniline IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(2-methoxyethyl)-2-nitroaniline Traditional Name: [4-[(4-benzhydrylpiperazino)methyl]-2-nitro-phenyl]-(2-methoxyethyl)amine Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O3/c1-34-19-14-28-25-13-12-22(20-26(25)31(32)33)21-29-15-17-30(18-16-29)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,20,27-28H,14-19,21H2,1H3