2-methyl-3-phenyl-1-(2-piperidin-1-ylethanoyl)-2H-quinazolin-4-one hydrate hydrochloride

Systemtic Name: 2-methyl-3-phenyl-1-(2-piperidin-1-ylethanoyl)-2H-quinazolin-4-one hydrate hydrochloride Openeye Name: 2-methyl-3-phenyl-1-[2-(1-piperidyl)acetyl]-2H-quinazolin-4-one hydrate hydrochloride CAS Name: 2-methyl-1-[1-oxo-2-(1-piperidinyl)ethyl]-3-phenyl-2H-quinazolin-4-one hydrate hydrochloride IUPAC Name: 2-methyl-3-phenyl-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one hydrate hydrochloride Traditional Name: 2-methyl-3-phenyl-1-(2-piperidinoacetyl)-2H-quinazolin-4-one hydrate hydrochloride Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=O)C2=CC=CC=C2N1C(=O)CN3CCCCC3)C4=CC=CC=C4.O.Cl

Isomeric SMILES

CC1N(C(=O)C2=CC=CC=C2N1C(=O)CN3CCCCC3)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C22H25N3O2.ClH.H2O/c1-17-24(18-10-4-2-5-11-18)22(27)19-12-6-7-13-20(19)25(17)21(26)16-23-14-8-3-9-15-23;;/h2,4-7,10-13,17H,3,8-9,14-16H2,1H3;1H;1H2