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

Systemtic Name: methyl N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)phenyl]carbamate Openeye Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]phenyl]carbamate CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]phenyl]carbamate Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester Formula: C27H41N5O4 MolecularWeight: 499.64554

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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)C4CCCCC4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCCN(CC3)C(=O)C4CCCCC4

InChI

InChI=1S/C27H41N5O4/c1-36-27(35)30-23-18-20(25(33)29-22-11-9-21(28)10-12-22)8-13-24(23)31-14-5-15-32(17-16-31)26(34)19-6-3-2-4-7-19/h8,13,18-19,21-22H,2-7,9-12,14-17,28H2,1H3,(H,29,33)(H,30,35)