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

Systemtic Name: 3-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethyl]quinazolin-4-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H28N4O3/c27-20(15-26-16-23-19-8-4-3-7-18(19)22(26)29)24-13-9-17(10-14-24)21(28)25-11-5-1-2-6-12-25/h3-4,7-8,16-17H,1-2,5-6,9-15H2