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

Systemtic Name: methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-(pyridin-4-ylcarbonylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-(pyridine-4-carbonylamino)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-(pyridine-4-carbonylamino)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-(1,4-diazepane-1-carbonyl)-2-isonicotinamido-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=CC=NC=C4

Isomeric SMILES

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

InChI

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