3-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-1-ethanoyl-3,4-dihydroquinolin-2-one hydrate hydrochloride

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-1-ethanoyl-3,4-dihydroquinolin-2-one hydrate hydrochloride Openeye Name: 1-acetyl-3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one hydrate hydrochloride CAS Name: 1-acetyl-3-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3,4-dihydroquinolin-2-one hydrate hydrochloride IUPAC Name: 1-acetyl-3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one hydrate hydrochloride Traditional Name: 1-acetyl-3-(4-piperonyloylpiperazino)-3,4-dihydrocarbostyril hydrate hydrochloride Formula: C23H26ClN3O6 MolecularWeight: 475.92204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2CC(C1=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5.O.Cl

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2CC(C1=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5.O.Cl

InChI

InChI=1S/C23H23N3O5.ClH.H2O/c1-15(27)26-18-5-3-2-4-16(18)12-19(23(26)29)24-8-10-25(11-9-24)22(28)17-6-7-20-21(13-17)31-14-30-20;;/h2-7,13,19H,8-12,14H2,1H3;1H;1H2