methyl N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbamate

Systemtic Name: methyl N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbamate Openeye Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-(4-nicotinoylpiperazino)phenyl]carbamic acid methyl ester Formula: C25H32N6O4 MolecularWeight: 480.55938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCN(CC3)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCN(CC3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H32N6O4/c1-35-25(34)29-21-15-17(23(32)28-20-7-5-19(26)6-8-20)4-9-22(21)30-11-13-31(14-12-30)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,29,34)