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

Systemtic Name: methyl N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbamate Openeye Name: methyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]carbamate CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]carbamate Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-isonicotinoyl-1,4-diazepan-1-yl)phenyl]carbamic acid methyl ester Formula: C25H32N6O4 MolecularWeight: 480.55938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C25H32N6O4/c1-35-25(34)28-21-18-20(24(33)30-12-2-8-26-11-15-30)4-5-22(21)29-13-3-14-31(17-16-29)23(32)19-6-9-27-10-7-19/h4-7,9-10,18,26H,2-3,8,11-17H2,1H3,(H,28,34)