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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: (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 (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (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-1H-quinazolin-2-yl)methyl ester Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)OCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C24H25N3O3/c28-23(30-17-22-25-21-8-4-3-7-20(21)24(29)26-22)14-11-18-9-12-19(13-10-18)27-15-5-1-2-6-16-27/h3-4,7-14H,1-2,5-6,15-17H2,(H,25,26,29)/b14-11+