6-[2-(azetidin-3-yl)ethynyl]-4-(2-methyl-3-pyridin-3-yloxy-cyclohexa-1,3-dien-1-yl)quinazoline

Systemtic Name: 6-[2-(azetidin-3-yl)ethynyl]-4-(2-methyl-3-pyridin-3-yloxy-cyclohexa-1,3-dien-1-yl)quinazoline Openeye Name: 6-[2-(azetidin-3-yl)ethynyl]-4-[2-methyl-3-(3-pyridyloxy)cyclohexa-1,3-dien-1-yl]quinazoline CAS Name: 6-[2-(3-azetidinyl)ethynyl]-4-[2-methyl-3-(3-pyridinyloxy)-1-cyclohexa-1,3-dienyl]quinazoline IUPAC Name: 6-[2-(azetidin-3-yl)ethynyl]-4-(2-methyl-3-pyridin-3-yloxycyclohexa-1,3-dien-1-yl)quinazoline Traditional Name: 6-[2-(azetidin-3-yl)ethynyl]-4-[2-methyl-3-(3-pyridyloxy)cyclohexa-1,3-dien-1-yl]quinazoline Formula: C25H22N4O MolecularWeight: 394.46838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC=C1OC2=CN=CC=C2)C3=NC=NC4=C3C=C(C=C4)C#CC5CNC5

Isomeric SMILES

CC1=C(CCC=C1OC2=CN=CC=C2)C3=NC=NC4=C3C=C(C=C4)C#CC5CNC5

InChI

InChI=1S/C25H22N4O/c1-17-21(5-2-6-24(17)30-20-4-3-11-26-15-20)25-22-12-18(7-8-19-13-27-14-19)9-10-23(22)28-16-29-25/h3-4,6,9-12,15-16,19,27H,2,5,13-14H2,1H3