N-[3-cyano-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-4-methyl-benzamide hydrochloride

Systemtic Name: N-[3-cyano-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-4-methyl-benzamide hydrochloride Openeye Name: N-[3-cyano-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-4-methyl-benzamide hydrochloride CAS Name: N-[3-cyano-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-methylbenzamide hydrochloride IUPAC Name: N-[3-cyano-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-methylbenzamide hydrochloride Traditional Name: N-[3-cyano-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-4-methyl-benzamide hydrochloride Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC(CNC(C)C)O)C#N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC(CNC(C)C)O)C#N.Cl

InChI

InChI=1S/C21H25N3O3.ClH/c1-14(2)23-12-19(25)13-27-20-9-8-18(10-17(20)11-22)24-21(26)16-6-4-15(3)5-7-16;/h4-10,14,19,23,25H,12-13H2,1-3H3,(H,24,26);1H