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

Systemtic Name: methyl N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]carbamate Openeye Name: methyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-isonicotinoylpiperazino)phenyl]carbamic acid methyl ester Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C24H30N6O4/c1-34-24(33)27-20-17-19(23(32)29-11-2-7-25-10-12-29)3-4-21(20)28-13-15-30(16-14-28)22(31)18-5-8-26-9-6-18/h3-6,8-9,17,25H,2,7,10-16H2,1H3,(H,27,33)