N-phenyl-4-[[6-[3-(prop-2-enoylamino)propanoylamino]quinazolin-4-yl]amino]benzamide

Systemtic Name: N-phenyl-4-[[6-[3-(prop-2-enoylamino)propanoylamino]quinazolin-4-yl]amino]benzamide Openeye Name: N-phenyl-4-[[6-[3-(prop-2-enoylamino)propanoylamino]quinazolin-4-yl]amino]benzamide CAS Name: 4-[[6-[[1-oxo-3-(1-oxoprop-2-enylamino)propyl]amino]-4-quinazolinyl]amino]-N-phenylbenzamide IUPAC Name: N-phenyl-4-[[6-[3-(prop-2-enoylamino)propanoylamino]quinazolin-4-yl]amino]benzamide Traditional Name: 4-[[6-(3-acrylamidopropanoylamino)quinazolin-4-yl]amino]-N-phenyl-benzamide Formula: C27H24N6O3 MolecularWeight: 480.51786

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C=CC(=O)NCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H24N6O3/c1-2-24(34)28-15-14-25(35)31-21-12-13-23-22(16-21)26(30-17-29-23)32-20-10-8-18(9-11-20)27(36)33-19-6-4-3-5-7-19/h2-13,16-17H,1,14-15H2,(H,28,34)(H,31,35)(H,33,36)(H,29,30,32)