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

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-(2-phenylethanoylamino)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(2-phenylacetyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[(1-oxo-2-phenylethyl)amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(2-phenylacetyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(2-phenylacetyl)amino]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C27H35N5O4 MolecularWeight: 493.5979

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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)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O4/c1-36-27(35)32-15-13-31(14-16-32)24-12-7-20(26(34)29-22-10-8-21(28)9-11-22)18-23(24)30-25(33)17-19-5-3-2-4-6-19/h2-7,12,18,21-22H,8-11,13-17,28H2,1H3,(H,29,34)(H,30,33)