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

Systemtic Name: methyl N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)phenyl]carbamate Openeye Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]phenyl]carbamate CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]phenyl]carbamate Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester Formula: C26H39N5O4 MolecularWeight: 485.61896

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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)C4CCCC4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C26H39N5O4/c1-35-26(34)29-22-17-19(24(32)28-21-10-8-20(27)9-11-21)7-12-23(22)30-13-4-14-31(16-15-30)25(33)18-5-2-3-6-18/h7,12,17-18,20-21H,2-6,8-11,13-16,27H2,1H3,(H,28,32)(H,29,34)