methyl 3-[[4-(1,6-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(1,6-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-[1,6-naphthyridin-2-yl(oxo)methyl]-1,4-diazepan-1-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]amino]benzoic acid methyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C(=O)C3=NC4=C(C=C3)C=NC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C(=O)C3=NC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C23H23N5O4/c1-32-22(30)16-4-2-5-18(14-16)25-23(31)28-11-3-10-27(12-13-28)21(29)20-7-6-17-15-24-9-8-19(17)26-20/h2,4-9,14-15H,3,10-13H2,1H3,(H,25,31)