methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-(pyridin-3-ylcarbonylamino)phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-(pyridin-3-ylcarbonylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-(pyridine-3-carbonylamino)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-[[oxo(3-pyridinyl)methyl]amino]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-(pyridine-3-carbonylamino)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-(1,4-diazepane-1-carbonyl)-2-nicotinamido-phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C25H32N6O4 MolecularWeight: 480.55938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H32N6O4/c1-35-25(34)31-13-4-12-29(15-16-31)22-7-6-19(24(33)30-11-3-9-26-10-14-30)17-21(22)28-23(32)20-5-2-8-27-18-20/h2,5-8,17-18,26H,3-4,9-16H2,1H3,(H,28,32)