(E)-3-(4-oxidanylidene-6-propan-2-yl-quinazolin-3-yl)-N-(6-pyridin-3-ylhexyl)prop-2-enamide

Systemtic Name: (E)-3-(4-oxidanylidene-6-propan-2-yl-quinazolin-3-yl)-N-(6-pyridin-3-ylhexyl)prop-2-enamide Openeye Name: (E)-3-(6-isopropyl-4-oxo-quinazolin-3-yl)-N-[6-(3-pyridyl)hexyl]prop-2-enamide CAS Name: (E)-3-(4-oxo-6-propan-2-yl-3-quinazolinyl)-N-[6-(3-pyridinyl)hexyl]-2-propenamide IUPAC Name: (E)-3-(4-oxo-6-propan-2-ylquinazolin-3-yl)-N-(6-pyridin-3-ylhexyl)prop-2-enamide Traditional Name: (E)-3-(6-isopropyl-4-keto-quinazolin-3-yl)-N-[6-(3-pyridyl)hexyl]acrylamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=CN(C2=O)C=CC(=O)NCCCCCCC3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=CN(C2=O)/C=C/C(=O)NCCCCCCC3=CN=CC=C3

InChI

InChI=1S/C25H30N4O2/c1-19(2)21-10-11-23-22(16-21)25(31)29(18-28-23)15-12-24(30)27-14-6-4-3-5-8-20-9-7-13-26-17-20/h7,9-13,15-19H,3-6,8,14H2,1-2H3,(H,27,30)/b15-12+