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

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-(pyridin-4-ylcarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(pyridine-4-carbonylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(pyridine-4-carbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-isonicotinamido-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=CC=NC=C4

Isomeric SMILES

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

InChI

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