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

Systemtic Name: methyl 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(3-chlorophenyl)piperazino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O3/c1-29-21(28)14-5-6-17-18(11-14)23-19(24-20(17)27)13-25-7-9-26(10-8-25)16-4-2-3-15(22)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,23,24,27)