methyl 2-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(4-ethoxycarbonyl-1-piperazinyl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(4-carbethoxypiperazino)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H22N4O5/c1-3-27-18(25)22-8-6-21(7-9-22)11-15-19-14-10-12(17(24)26-2)4-5-13(14)16(23)20-15/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20,23)