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

Systemtic Name: methyl N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]carbamate Openeye Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]carbamate CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]carbamate Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester Formula: C24H35N5O4 MolecularWeight: 457.5658

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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)C4CC4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C24H35N5O4/c1-33-24(32)27-20-15-17(22(30)26-19-8-6-18(25)7-9-19)5-10-21(20)28-11-2-12-29(14-13-28)23(31)16-3-4-16/h5,10,15-16,18-19H,2-4,6-9,11-14,25H2,1H3,(H,26,30)(H,27,32)