[1-[2-(2-methyl-4-oxidanylidene-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenyl-piperidin-4-yl] propanoate

Systemtic Name: [1-[2-(2-methyl-4-oxidanylidene-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenyl-piperidin-4-yl] propanoate Openeye Name: [1-[2-(2-methyl-4-oxo-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenyl-4-piperidyl] propanoate CAS Name: propanoic acid [1-[2-(2-methyl-4-oxo-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenyl-4-piperidinyl] ester IUPAC Name: [1-[2-(2-methyl-4-oxo-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenylpiperidin-4-yl] propanoate Traditional Name: propionic acid [1-[2-(4-keto-2-methyl-2,3-dihydroquinazolin-1-yl)ethyl]-4-phenyl-4-piperidyl] ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCN(CC1)CCN2C(NC(=O)C3=CC=CC=C32)C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)OC1(CCN(CC1)CCN2C(NC(=O)C3=CC=CC=C32)C)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-3-23(29)31-25(20-9-5-4-6-10-20)13-15-27(16-14-25)17-18-28-19(2)26-24(30)21-11-7-8-12-22(21)28/h4-12,19H,3,13-18H2,1-2H3,(H,26,30)