methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-[(3-methylphenyl)carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-[(3-methylphenyl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(3-methylbenzoyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(3-methylbenzoyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(m-toluoylamino)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C27H35N5O4 MolecularWeight: 493.5979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)OC

InChI

InChI=1S/C27H35N5O4/c1-18-4-3-5-19(16-18)26(34)30-23-17-20(25(33)29-22-9-7-21(28)8-10-22)6-11-24(23)31-12-14-32(15-13-31)27(35)36-2/h3-6,11,16-17,21-22H,7-10,12-15,28H2,1-2H3,(H,29,33)(H,30,34)