6,7-dimethoxy-3-[4-[2-(4-methoxyphenyl)azepan-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-3-[4-[2-(4-methoxyphenyl)azepan-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 6,7-dimethoxy-3-[4-[2-(4-methoxyphenyl)azepan-1-yl]-4-oxo-butyl]quinazolin-4-one CAS Name: 6,7-dimethoxy-3-[4-[2-(4-methoxyphenyl)-1-azepanyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 6,7-dimethoxy-3-[4-[2-(4-methoxyphenyl)azepan-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-[2-(4-methoxyphenyl)azepan-1-yl]butyl]-6,7-dimethoxy-quinazolin-4-one Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCCN3C=NC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCCN3C=NC4=CC(=C(C=C4C3=O)OC)OC

InChI

InChI=1S/C27H33N3O5/c1-33-20-12-10-19(11-13-20)23-8-5-4-6-15-30(23)26(31)9-7-14-29-18-28-22-17-25(35-3)24(34-2)16-21(22)27(29)32/h10-13,16-18,23H,4-9,14-15H2,1-3H3