(E)-3-[(3-methylphenyl)amino]-3-(4-methylpiperazin-1-yl)-N-propoxy-2-quinazolin-6-yl-prop-2-enamide

Systemtic Name: (E)-3-[(3-methylphenyl)amino]-3-(4-methylpiperazin-1-yl)-N-propoxy-2-quinazolin-6-yl-prop-2-enamide Openeye Name: (E)-3-(3-methylanilino)-3-(4-methylpiperazin-1-yl)-N-propoxy-2-quinazolin-6-yl-prop-2-enamide CAS Name: (E)-3-(3-methylanilino)-3-(4-methyl-1-piperazinyl)-N-propoxy-2-(6-quinazolinyl)-2-propenamide IUPAC Name: (E)-3-(3-methylanilino)-3-(4-methylpiperazin-1-yl)-N-propoxy-2-quinazolin-6-ylprop-2-enamide Traditional Name: (E)-3-(4-methylpiperazino)-3-(m-toluidino)-N-propoxy-2-quinazolin-6-yl-acrylamide Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

CCCONC(=O)C(=C(NC1=CC=CC(=C1)C)N2CCN(CC2)C)C3=CC4=CN=CN=C4C=C3

Isomeric SMILES

CCCONC(=O)/C(=C(\NC1=CC=CC(=C1)C)/N2CCN(CC2)C)/C3=CC4=CN=CN=C4C=C3

InChI

InChI=1S/C26H32N6O2/c1-4-14-34-30-26(33)24(20-8-9-23-21(16-20)17-27-18-28-23)25(32-12-10-31(3)11-13-32)29-22-7-5-6-19(2)15-22/h5-9,15-18,29H,4,10-14H2,1-3H3,(H,30,33)/b25-24+