N4-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)-5-nitro-N1-phenyl-benzene-1,4-diamine

Systemtic Name: N4-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)-5-nitro-N1-phenyl-benzene-1,4-diamine Openeye Name: N4-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)-5-nitro-N1-phenyl-benzene-1,4-diamine CAS Name: N4-(cyclohexylmethyl)-2-(4-methyl-1-piperazinyl)-5-nitro-N1-phenylbenzene-1,4-diamine IUPAC Name: 4-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)-5-nitro-1-N-phenylbenzene-1,4-diamine Traditional Name: [4-anilino-5-(4-methylpiperazino)-2-nitro-phenyl]-(cyclohexylmethyl)amine Formula: C24H33N5O2 MolecularWeight: 423.55112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2NC3=CC=CC=C3)[N+](=O)[O-])NCC4CCCCC4

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2NC3=CC=CC=C3)[N+](=O)[O-])NCC4CCCCC4

InChI

InChI=1S/C24H33N5O2/c1-27-12-14-28(15-13-27)23-16-21(25-18-19-8-4-2-5-9-19)24(29(30)31)17-22(23)26-20-10-6-3-7-11-20/h3,6-7,10-11,16-17,19,25-26H,2,4-5,8-9,12-15,18H2,1H3