N-(4-azanyl-2-methyl-quinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide hydrate hydrochloride

Systemtic Name: N-(4-azanyl-2-methyl-quinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide hydrate hydrochloride Openeye Name: N-(4-amino-2-methyl-6-quinolyl)-2-[(4-ethylphenoxy)methyl]benzamide hydrate hydrochloride CAS Name: N-(4-amino-2-methyl-6-quinolinyl)-2-[(4-ethylphenoxy)methyl]benzamide hydrate hydrochloride IUPAC Name: N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide hydrate hydrochloride Traditional Name: N-(4-amino-2-methyl-6-quinolyl)-2-[(4-ethylphenoxy)methyl]benzamide hydrate hydrochloride Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(C=C4N)C.O.Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(C=C4N)C.O.Cl

InChI

InChI=1S/C26H25N3O2.ClH.H2O/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25;;/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30);1H;1H2