(Z)-N-(cyanomethyl)-3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-phenyl-prop-2-enamide

Systemtic Name: (Z)-N-(cyanomethyl)-3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-phenyl-prop-2-enamide Openeye Name: (Z)-N-(cyanomethyl)-3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-phenyl-prop-2-enamide CAS Name: (Z)-N-(cyanomethyl)-3-[(6,7-dimethoxy-4-quinazolinyl)amino]-2-phenyl-2-propenamide IUPAC Name: (Z)-N-(cyanomethyl)-3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-phenylprop-2-enamide Traditional Name: (Z)-N-(cyanomethyl)-3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-phenyl-acrylamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC=C(C3=CC=CC=C3)C(=O)NCC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N/C=C(/C3=CC=CC=C3)\C(=O)NCC#N)OC

InChI

InChI=1S/C21H19N5O3/c1-28-18-10-15-17(11-19(18)29-2)25-13-26-20(15)24-12-16(21(27)23-9-8-22)14-6-4-3-5-7-14/h3-7,10-13H,9H2,1-2H3,(H,23,27)(H,24,25,26)/b16-12-