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

Systemtic Name: methyl 2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(m-tolyl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[4-(m-tolyl)piperazino]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H24N4O3/c1-15-4-3-5-17(12-15)26-10-8-25(9-11-26)14-20-23-19-13-16(22(28)29-2)6-7-18(19)21(27)24-20/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,24,27)