3-butyl-4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]benzene-1,2-diamine

Systemtic Name: 3-butyl-4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]benzene-1,2-diamine Openeye Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-3-butyl-benzene-1,2-diamine CAS Name: 3-butyl-4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]benzene-1,2-diamine IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-3-butylbenzene-1,2-diamine Traditional Name: [2-amino-4-[(4-benzhydrylpiperazino)methyl]-3-butyl-phenyl]amine Formula: C28H36N4 MolecularWeight: 428.61224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1N)N)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C=CC(=C1N)N)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H36N4/c1-2-3-14-25-24(15-16-26(29)27(25)30)21-31-17-19-32(20-18-31)28(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,15-16,28H,2-3,14,17-21,29-30H2,1H3