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

Systemtic Name: methyl 2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(o-tolylmethyl)piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[4-(2-methylbenzyl)piperazino]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H26N4O3/c1-16-5-3-4-6-18(16)14-26-9-11-27(12-10-26)15-21-24-20-13-17(23(29)30-2)7-8-19(20)22(28)25-21/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,25,28)