N-cyclopropyl-4-methyl-3-[4-oxidanylidene-6-(4-prop-2-ynylpiperazin-1-yl)quinazolin-3-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[4-oxidanylidene-6-(4-prop-2-ynylpiperazin-1-yl)quinazolin-3-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[4-oxo-6-(4-prop-2-ynylpiperazin-1-yl)quinazolin-3-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[4-oxo-6-(4-prop-2-ynyl-1-piperazinyl)-3-quinazolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[4-oxo-6-(4-prop-2-ynylpiperazin-1-yl)quinazolin-3-yl]benzamide Traditional Name: N-cyclopropyl-3-[4-keto-6-(4-propargylpiperazino)quinazolin-3-yl]-4-methyl-benzamide Formula: C26H27N5O2 MolecularWeight: 441.52488

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O2/c1-3-10-29-11-13-30(14-12-29)21-8-9-23-22(16-21)26(33)31(17-27-23)24-15-19(5-4-18(24)2)25(32)28-20-6-7-20/h1,4-5,8-9,15-17,20H,6-7,10-14H2,2H3,(H,28,32)