2-(4-methylpiperazin-1-yl)-N-[3-[[2-oxidanylidene-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-1-yl]methyl]phenyl]ethanamide

Systemtic Name: 2-(4-methylpiperazin-1-yl)-N-[3-[[2-oxidanylidene-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[3-[[4-(4-isopropylphenyl)-2-oxo-6-prop-2-ynoxy-quinazolin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide CAS Name: 2-(4-methyl-1-piperazinyl)-N-[3-[[2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-1-quinazolinyl]methyl]phenyl]acetamide IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[3-[[2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-1-yl]methyl]phenyl]acetamide Traditional Name: N-[3-[(2-keto-4-p-cumenyl-6-propargyloxy-quinazolin-1-yl)methyl]phenyl]-2-(4-methylpiperazino)acetamide Formula: C34H37N5O3 MolecularWeight: 563.68928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC(=CC=C4)NC(=O)CN5CCN(CC5)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC(=CC=C4)NC(=O)CN5CCN(CC5)C

InChI

InChI=1S/C34H37N5O3/c1-5-19-42-29-13-14-31-30(21-29)33(27-11-9-26(10-12-27)24(2)3)36-34(41)39(31)22-25-7-6-8-28(20-25)35-32(40)23-38-17-15-37(4)16-18-38/h1,6-14,20-21,24H,15-19,22-23H2,2-4H3,(H,35,40)