6-[4-[4-[(2S)-butan-2-yl]phenoxy]-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-[4-[(2S)-butan-2-yl]phenoxy]-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 2-methoxy-6-[4-[4-[(1S)-1-methylpropyl]phenoxy]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-[4-[(2S)-butan-2-yl]phenoxy]-1H-quinazolin-2-ylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-[4-[(2S)-butan-2-yl]phenoxy]-1H-quinazolin-2-ylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 2-methoxy-6-[4-[4-[(1S)-1-methylpropyl]phenoxy]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC2=NC(=C3C=CC=C(C3=O)OC)NC4=CC=CC=C42

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OC2=NC(=C3C=CC=C(C3=O)OC)NC4=CC=CC=C42

InChI

InChI=1S/C25H24N2O3/c1-4-16(2)17-12-14-18(15-13-17)30-25-19-8-5-6-10-21(19)26-24(27-25)20-9-7-11-22(29-3)23(20)28/h5-16,26H,4H2,1-3H3/t16-/m0/s1