2-[4-(6-methoxy-7-prop-2-ynoxy-quinazolin-4-yl)piperazin-1-yl]-4-phenoxy-benzamide

Systemtic Name: 2-[4-(6-methoxy-7-prop-2-ynoxy-quinazolin-4-yl)piperazin-1-yl]-4-phenoxy-benzamide Openeye Name: 2-[4-(6-methoxy-7-prop-2-ynoxy-quinazolin-4-yl)piperazin-1-yl]-4-phenoxy-benzamide CAS Name: 2-[4-(6-methoxy-7-prop-2-ynoxy-4-quinazolinyl)-1-piperazinyl]-4-phenoxybenzamide IUPAC Name: 2-[4-(6-methoxy-7-prop-2-ynoxyquinazolin-4-yl)piperazin-1-yl]-4-phenoxybenzamide Traditional Name: 2-[4-(6-methoxy-7-propargyloxy-quinazolin-4-yl)piperazino]-4-phenoxy-benzamide Formula: C29H27N5O4 MolecularWeight: 509.55578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C4=C(C=CC(=C4)OC5=CC=CC=C5)C(=O)N)OCC#C

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C4=C(C=CC(=C4)OC5=CC=CC=C5)C(=O)N)OCC#C

InChI

InChI=1S/C29H27N5O4/c1-3-15-37-27-18-24-23(17-26(27)36-2)29(32-19-31-24)34-13-11-33(12-14-34)25-16-21(9-10-22(25)28(30)35)38-20-7-5-4-6-8-20/h1,4-10,16-19H,11-15H2,2H3,(H2,30,35)