5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1H-quinolin-2-one hydrate hydrochloride

Systemtic Name: 5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1H-quinolin-2-one hydrate hydrochloride Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-1H-quinolin-2-one hydrate hydrochloride CAS Name: 5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-quinolin-2-one hydrate hydrochloride IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-1H-quinolin-2-one hydrate hydrochloride Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)carbostyril hydrate hydrochloride Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4C=CC(=O)NC4=CC=C3.O.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4C=CC(=O)NC4=CC=C3.O.Cl

InChI

InChI=1S/C21H21N3O2.ClH.H2O/c25-20-10-9-17-18(7-4-8-19(17)22-20)21(26)24-13-11-23(12-14-24)15-16-5-2-1-3-6-16;;/h1-10H,11-15H2,(H,22,25);1H;1H2