methyl N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbamate

Systemtic Name: methyl N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbamate Openeye Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]carbamate CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]carbamate Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-(4-isonicotinoyl-1,4-diazepan-1-yl)phenyl]carbamic acid methyl ester Formula: C26H34N6O4 MolecularWeight: 494.58596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C26H34N6O4/c1-36-26(35)30-22-17-19(24(33)29-21-6-4-20(27)5-7-21)3-8-23(22)31-13-2-14-32(16-15-31)25(34)18-9-11-28-12-10-18/h3,8-12,17,20-21H,2,4-7,13-16,27H2,1H3,(H,29,33)(H,30,35)