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

Systemtic Name: methyl 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(2-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=C4Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=CC=CC=C4Cl

InChI

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