6-chloranyl-2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C22H24ClN3O2/c1-28-17-9-6-15(7-10-17)20-5-3-2-4-12-26(20)14-21-24-19-11-8-16(23)13-18(19)22(27)25-21/h6-11,13,20H,2-5,12,14H2,1H3,(H,24,25,27)/t20-/m1/s1