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

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-[(4-cyanophenyl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(4-cyanobenzoyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(4-cyanobenzoyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(4-cyanobenzoyl)amino]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C27H32N6O4 MolecularWeight: 504.58078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H32N6O4/c1-37-27(36)33-14-12-32(13-15-33)24-11-6-20(26(35)30-22-9-7-21(29)8-10-22)16-23(24)31-25(34)19-4-2-18(17-28)3-5-19/h2-6,11,16,21-22H,7-10,12-15,29H2,1H3,(H,30,35)(H,31,34)