methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H21ClN4O4/c1-31-22(30)15-5-6-18-19(11-15)24-14-27(21(18)29)13-20(28)26-9-7-25(8-10-26)17-4-2-3-16(23)12-17/h2-6,11-12,14H,7-10,13H2,1H3