2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylquinazolin-4-olate

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylquinazolin-4-olate Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]quinazolin-4-olate CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-4-quinazolinolate IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]quinazolin-4-olate Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]quinazolin-4-olate Formula: C21H21N4O2- MolecularWeight: 361.41704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C(=N3)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C(=N3)[O-])C

InChI

InChI=1S/C21H22N4O2/c1-14-6-5-9-18(15(14)2)24-10-12-25(13-11-24)21(27)19-22-17-8-4-3-7-16(17)20(26)23-19/h3-9H,10-13H2,1-2H3,(H,22,23,26)/p-1