(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C=CC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)/C=C/C3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H27N3O3/c1-18-7-6-8-21-24(18)26-22(27-25(21)30)17-31-23(29)14-11-19-9-12-20(13-10-19)28-15-4-2-3-5-16-28/h6-14H,2-5,15-17H2,1H3,(H,26,27,30)/b14-11+