4-azanyl-5-chloranyl-N-(2-diethylaminoethyl)-2-(2-methyl-3-oxidanylidene-butan-2-yl)oxy-benzamide hydrate

Systemtic Name: 4-azanyl-5-chloranyl-N-(2-diethylaminoethyl)-2-(2-methyl-3-oxidanylidene-butan-2-yl)oxy-benzamide hydrate Openeye Name: 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-(1,1-dimethyl-2-oxo-propoxy)benzamide hydrate CAS Name: 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-(2-methyl-3-oxobutan-2-yl)oxybenzamide hydrate IUPAC Name: 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-(2-methyl-3-oxobutan-2-yl)oxybenzamide hydrate Traditional Name: 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-(2-keto-1,1-dimethyl-propoxy)benzamide hydrate Formula: C18H30ClN3O4 MolecularWeight: 387.9015

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC(C)(C)C(=O)C)N)Cl.O

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC(C)(C)C(=O)C)N)Cl.O

InChI

InChI=1S/C18H28ClN3O3.H2O/c1-6-22(7-2)9-8-21-17(24)13-10-14(19)15(20)11-16(13)25-18(4,5)12(3)23;/h10-11H,6-9,20H2,1-5H3,(H,21,24);1H2