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

Systemtic Name: methyl N-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]carbamate Openeye Name: methyl N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(cyclopropanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamic acid methyl ester Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H31N5O4/c1-31-22(30)24-18-15-17(21(29)26-9-2-7-23-8-10-26)5-6-19(18)25-11-13-27(14-12-25)20(28)16-3-4-16/h5-6,15-16,23H,2-4,7-14H2,1H3,(H,24,30)