N-[4-[(3-cyanophenyl)amino]-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide

Systemtic Name: N-[4-[(3-cyanophenyl)amino]-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide Openeye Name: N-[4-(3-cyanoanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide CAS Name: N-[4-(3-cyanoanilino)-7-[3-methyl-3-(4-methyl-1-piperazinyl)but-1-ynyl]-6-quinazolinyl]-2-propenamide IUPAC Name: N-[4-(3-cyanoanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide Traditional Name: N-[4-(3-cyanoanilino)-7-[3-methyl-3-(4-methylpiperazino)but-1-ynyl]quinazolin-6-yl]acrylamide Formula: C28H29N7O MolecularWeight: 479.57616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC=CC(=C3)C#N)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC=CC(=C3)C#N)N4CCN(CC4)C

InChI

InChI=1S/C28H29N7O/c1-5-26(36)33-24-17-23-25(30-19-31-27(23)32-22-8-6-7-20(15-22)18-29)16-21(24)9-10-28(2,3)35-13-11-34(4)12-14-35/h5-8,15-17,19H,1,11-14H2,2-4H3,(H,33,36)(H,30,31,32)