N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-2-nitro-aniline

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-2-nitro-aniline Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-2-nitro-aniline CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-5-methyl-2-nitroaniline IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-2-nitroaniline Traditional Name: 4-[4-(2-methoxyphenyl)piperazino]butyl-(5-methyl-2-nitro-phenyl)amine Formula: C22H30N4O3 MolecularWeight: 398.4986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCCCN2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCCCN2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H30N4O3/c1-18-9-10-20(26(27)28)19(17-18)23-11-5-6-12-24-13-15-25(16-14-24)21-7-3-4-8-22(21)29-2/h3-4,7-10,17,23H,5-6,11-16H2,1-2H3