N2-(2-azanylethyl)-N1-(4-methylphenyl)-4-(phenylmethyl)piperazine-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(4-methylphenyl)-4-(phenylmethyl)piperazine-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-4-benzyl-N1-(p-tolyl)piperazine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(4-methylphenyl)-4-(phenylmethyl)piperazine-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-4-benzyl-1-N-(4-methylphenyl)piperazine-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-4-benzyl-N-(p-tolyl)piperazine-1,2-dicarboxamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2C(=O)NCCN)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2C(=O)NCCN)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N5O2/c1-17-7-9-19(10-8-17)25-22(29)27-14-13-26(15-18-5-3-2-4-6-18)16-20(27)21(28)24-12-11-23/h2-10,20H,11-16,23H2,1H3,(H,24,28)(H,25,29)