methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-(pyridin-3-ylcarbonylamino)phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-(pyridin-3-ylcarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(pyridine-3-carbonylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[[oxo(3-pyridinyl)methyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(pyridine-3-carbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-nicotinamido-phenyl]piperazine-1-carboxylic acid methyl ester Formula: C25H32N6O4 MolecularWeight: 480.55938

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O4/c1-35-25(34)31-13-11-30(12-14-31)22-9-4-17(23(32)28-20-7-5-19(26)6-8-20)15-21(22)29-24(33)18-3-2-10-27-16-18/h2-4,9-10,15-16,19-20H,5-8,11-14,26H2,1H3,(H,28,32)(H,29,33)