1-[2-(diethylamino)ethanoyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-one hydrate hydrochloride

Systemtic Name: 1-[2-(diethylamino)ethanoyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-one hydrate hydrochloride Openeye Name: 1-[2-(diethylamino)acetyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-one hydrate hydrochloride CAS Name: 1-[2-(diethylamino)-1-oxoethyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-one hydrate hydrochloride IUPAC Name: 1-[2-(diethylamino)acetyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-one hydrate hydrochloride Traditional Name: 1-[2-(diethylamino)acetyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-one hydrate hydrochloride Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC.O.Cl

Isomeric SMILES

CCN(CC)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC.O.Cl

InChI

InChI=1S/C21H25N3O3.ClH.H2O/c1-4-22(5-2)14-20(25)24-15-23(16-10-12-17(27-3)13-11-16)21(26)18-8-6-7-9-19(18)24;;/h6-13H,4-5,14-15H2,1-3H3;1H;1H2