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

Systemtic Name: methyl 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(3-chlorobenzyl)piperazino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O3/c1-30-22(29)16-5-6-18-19(12-16)24-20(25-21(18)28)14-27-9-7-26(8-10-27)13-15-3-2-4-17(23)11-15/h2-6,11-12H,7-10,13-14H2,1H3,(H,24,25,28)