2-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-3-methyl-quinazolin-4-one

Systemtic Name: 2-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-3-methyl-quinazolin-4-one Openeye Name: 2-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]-3-methyl-quinazolin-4-one CAS Name: 2-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-3-methyl-4-quinazolinone IUPAC Name: 2-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one Traditional Name: 2-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]-3-methyl-quinazolin-4-one Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H32N4O3/c1-26-21(25-20-9-5-4-8-19(20)24(26)31)10-11-22(29)27-16-12-18(13-17-27)23(30)28-14-6-2-3-7-15-28/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3