3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethyl]quinazolin-4-one Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c1-29-18-12-10-17(11-13-18)21-9-3-2-6-14-26(21)22(27)15-25-16-24-20-8-5-4-7-19(20)23(25)28/h4-5,7-8,10-13,16,21H,2-3,6,9,14-15H2,1H3/t21-/m1/s1