5-[4-(3-oxidanylpropylamino)cyclohexyl]oxyisoquinoline-4-carbonitrile hydrochloride

Systemtic Name: 5-[4-(3-oxidanylpropylamino)cyclohexyl]oxyisoquinoline-4-carbonitrile hydrochloride Openeye Name: 5-[4-(3-hydroxypropylamino)cyclohexoxy]isoquinoline-4-carbonitrile hydrochloride CAS Name: 5-[4-(3-hydroxypropylamino)cyclohexyl]oxy-4-isoquinolinecarbonitrile hydrochloride IUPAC Name: 5-[4-(3-hydroxypropylamino)cyclohexyl]oxyisoquinoline-4-carbonitrile hydrochloride Traditional Name: 5-[4-(3-hydroxypropylamino)cyclohexoxy]isoquinoline-4-carbonitrile hydrochloride Formula: C19H24ClN3O2 MolecularWeight: 361.86576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCCCO)OC2=CC=CC3=C2C(=CN=C3)C#N.Cl

Isomeric SMILES

C1CC(CCC1NCCCO)OC2=CC=CC3=C2C(=CN=C3)C#N.Cl

InChI

InChI=1S/C19H23N3O2.ClH/c20-11-15-13-21-12-14-3-1-4-18(19(14)15)24-17-7-5-16(6-8-17)22-9-2-10-23;/h1,3-4,12-13,16-17,22-23H,2,5-10H2;1H