2-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylquinazolin-4-olate

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylquinazolin-4-olate Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]quinazolin-4-olate CAS Name: 2-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-4-quinazolinolate IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]quinazolin-4-olate Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]quinazolin-4-olate Formula: C21H21N4O2- MolecularWeight: 361.41704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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