ethyl 4-[2-[1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(o-tolylmethyl)-3-oxo-piperazin-2-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[1-[(2-methylphenyl)methyl]-3-oxo-2-piperazinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-keto-1-(2-methylbenzyl)piperazin-2-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCCN2CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCCN2CC3=CC=CC=C3C

InChI

InChI=1S/C21H30N4O4/c1-3-29-21(28)24-12-10-23(11-13-24)19(26)14-18-20(27)22-8-9-25(18)15-17-7-5-4-6-16(17)2/h4-7,18H,3,8-15H2,1-2H3,(H,22,27)