N-[1-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperidin-4-ylidene]hydroxylamine

Systemtic Name: N-[1-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperidin-4-ylidene]hydroxylamine Openeye Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperidin-4-one oxime CAS Name: 1-[3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]-4-piperidinone oxime IUPAC Name: N-[1-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]piperidin-4-ylidene]hydroxylamine Traditional Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperidin-4-one oxime Formula: C29H27N5O2 MolecularWeight: 477.55698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCC(=NO)CC4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCC(=NO)CC4)OC5=CC=CC=C5

InChI

InChI=1S/C29H27N5O2/c1-21-18-24(10-12-28(21)36-25-7-3-2-4-8-25)32-29-26-19-22(9-11-27(26)30-20-31-29)6-5-15-34-16-13-23(33-35)14-17-34/h2-4,7-12,18-20,35H,13-17H2,1H3,(H,30,31,32)