6-chloranyl-N-(cyclohexylmethyl)-2-piperazin-1-yl-quinoline-5-carboxamide dihydrochloride

Systemtic Name: 6-chloranyl-N-(cyclohexylmethyl)-2-piperazin-1-yl-quinoline-5-carboxamide dihydrochloride Openeye Name: 6-chloro-N-(cyclohexylmethyl)-2-piperazin-1-yl-quinoline-5-carboxamide dihydrochloride CAS Name: 6-chloro-N-(cyclohexylmethyl)-2-(1-piperazinyl)-5-quinolinecarboxamide dihydrochloride IUPAC Name: 6-chloro-N-(cyclohexylmethyl)-2-piperazin-1-ylquinoline-5-carboxamide dihydrochloride Traditional Name: 6-chloro-N-(cyclohexylmethyl)-2-piperazino-quinoline-5-carboxamide dihydrochloride Formula: C21H29Cl3N4O MolecularWeight: 459.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CCNCC4)Cl.Cl.Cl

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CCNCC4)Cl.Cl.Cl

InChI

InChI=1S/C21H27ClN4O.2ClH/c22-17-7-8-18-16(6-9-19(25-18)26-12-10-23-11-13-26)20(17)21(27)24-14-15-4-2-1-3-5-15;;/h6-9,15,23H,1-5,10-14H2,(H,24,27);2*1H