methyl 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(azepane-1-carbonyl)-1-piperidyl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(azepane-1-carbonyl)piperidino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H30N4O4/c1-31-23(30)17-6-7-18-19(14-17)24-20(25-21(18)28)15-26-12-8-16(9-13-26)22(29)27-10-4-2-3-5-11-27/h6-7,14,16H,2-5,8-13,15H2,1H3,(H,24,25,28)