3-[4-(4-cyclopentylazepan-4-yl)oxyphenyl]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[4-(4-cyclopentylazepan-4-yl)oxyphenyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[4-(4-cyclopentylazepan-4-yl)oxyphenyl]-2-methyl-quinazolin-4-one CAS Name: 3-[4-[(4-cyclopentyl-4-azepanyl)oxy]phenyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[4-(4-cyclopentylazepan-4-yl)oxyphenyl]-2-methylquinazolin-4-one Traditional Name: 3-[4-(4-cyclopentylazepan-4-yl)oxyphenyl]-2-methyl-quinazolin-4-one Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4(CCCNCC4)C5CCCC5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4(CCCNCC4)C5CCCC5

InChI

InChI=1S/C26H31N3O2/c1-19-28-24-10-5-4-9-23(24)25(30)29(19)21-11-13-22(14-12-21)31-26(20-7-2-3-8-20)15-6-17-27-18-16-26/h4-5,9-14,20,27H,2-3,6-8,15-18H2,1H3