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

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-benzamido-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-benzamido-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-benzamidophenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-benzamidophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-benzamido-phenyl]piperazine-1-carboxylic acid methyl ester Formula: C26H33N5O4 MolecularWeight: 479.57132

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O4/c1-35-26(34)31-15-13-30(14-16-31)23-12-7-19(25(33)28-21-10-8-20(27)9-11-21)17-22(23)29-24(32)18-5-3-2-4-6-18/h2-7,12,17,20-21H,8-11,13-16,27H2,1H3,(H,28,33)(H,29,32)