4-(6-methoxy-7-prop-2-ynoxy-quinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(6-methoxy-7-prop-2-ynoxy-quinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-(6-methoxy-7-prop-2-ynoxy-quinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide CAS Name: 4-(6-methoxy-7-prop-2-ynoxy-4-quinazolinyl)-N-(4-phenoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6-methoxy-7-prop-2-ynoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(6-methoxy-7-propargyloxy-quinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide 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)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)OCC#C

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)OCC#C

InChI

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