methyl 2-oxidanylidene-3-[1-(phenylmethyl)piperidin-4-yl]-1,4-dihydroquinazoline-7-carboxylate

Systemtic Name: methyl 2-oxidanylidene-3-[1-(phenylmethyl)piperidin-4-yl]-1,4-dihydroquinazoline-7-carboxylate Openeye Name: methyl 3-(1-benzyl-4-piperidyl)-2-oxo-1,4-dihydroquinazoline-7-carboxylate CAS Name: 2-oxo-3-[1-(phenylmethyl)-4-piperidinyl]-1,4-dihydroquinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazoline-7-carboxylate Traditional Name: 3-(1-benzyl-4-piperidyl)-2-keto-1,4-dihydroquinazoline-7-carboxylic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CN(C(=O)N2)C3CCN(CC3)CC4=CC=CC=C4)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CN(C(=O)N2)C3CCN(CC3)CC4=CC=CC=C4)C=C1

InChI

InChI=1S/C22H25N3O3/c1-28-21(26)17-7-8-18-15-25(22(27)23-20(18)13-17)19-9-11-24(12-10-19)14-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,27)