N-cyclopropyl-3-[6-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[6-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]-4-methyl-benzamide Openeye Name: 3-[6-(4-acetylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(4-acetyl-1-piperazinyl)-4-oxo-3-quinazolinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(4-acetylpiperazino)-4-keto-quinazolin-3-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(C3=O)C=C(C=C4)N5CCN(CC5)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(C3=O)C=C(C=C4)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C25H27N5O3/c1-16-3-4-18(24(32)27-19-5-6-19)13-23(16)30-15-26-22-8-7-20(14-21(22)25(30)33)29-11-9-28(10-12-29)17(2)31/h3-4,7-8,13-15,19H,5-6,9-12H2,1-2H3,(H,27,32)