2-(azepan-1-ylmethyl)-6-iodanyl-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-(azepan-1-ylmethyl)-6-iodanyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-(azepan-1-ylmethyl)-6-iodo-3-(o-tolyl)quinazolin-4-one CAS Name: 2-(1-azepanylmethyl)-6-iodo-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-(azepan-1-ylmethyl)-6-iodo-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-(azepan-1-ylmethyl)-6-iodo-3-(o-tolyl)quinazolin-4-one Formula: C22H24IN3O MolecularWeight: 473.34993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)I)CN4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)I)CN4CCCCCC4

InChI

InChI=1S/C22H24IN3O/c1-16-8-4-5-9-20(16)26-21(15-25-12-6-2-3-7-13-25)24-19-11-10-17(23)14-18(19)22(26)27/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3