2-[(2R)-2-methyl-3-oxidanylidene-4-(phenylmethyl)piperazin-1-yl]carbonylquinazolin-4-olate

Systemtic Name: 2-[(2R)-2-methyl-3-oxidanylidene-4-(phenylmethyl)piperazin-1-yl]carbonylquinazolin-4-olate Openeye Name: 2-[(2R)-4-benzyl-2-methyl-3-oxo-piperazine-1-carbonyl]quinazolin-4-olate CAS Name: 2-[[(2R)-2-methyl-3-oxo-4-(phenylmethyl)-1-piperazinyl]-oxomethyl]-4-quinazolinolate IUPAC Name: 2-[(2R)-4-benzyl-2-methyl-3-oxopiperazine-1-carbonyl]quinazolin-4-olate Traditional Name: 2-[(2R)-4-benzyl-3-keto-2-methyl-piperazine-1-carbonyl]quinazolin-4-olate Formula: C21H19N4O3- MolecularWeight: 375.40056

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C(=O)C2=NC3=CC=CC=C3C(=N2)[O-])CC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1C(=O)N(CCN1C(=O)C2=NC3=CC=CC=C3C(=N2)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3/c1-14-20(27)24(13-15-7-3-2-4-8-15)11-12-25(14)21(28)18-22-17-10-6-5-9-16(17)19(26)23-18/h2-10,14H,11-13H2,1H3,(H,22,23,26)/p-1/t14-/m1/s1