1-(2-chloranyl-4-methoxy-5-methyl-phenyl)-5-cyclopropyl-N-(2-cyclopropyl-1-phenyl-ethyl)-N-prop-2-ynyl-1,2,4-triazol-3-amine hydrochloride

Systemtic Name: 1-(2-chloranyl-4-methoxy-5-methyl-phenyl)-5-cyclopropyl-N-(2-cyclopropyl-1-phenyl-ethyl)-N-prop-2-ynyl-1,2,4-triazol-3-amine hydrochloride Openeye Name: 1-(2-chloro-4-methoxy-5-methyl-phenyl)-5-cyclopropyl-N-(2-cyclopropyl-1-phenyl-ethyl)-N-prop-2-ynyl-1,2,4-triazol-3-amine hydrochloride CAS Name: 1-(2-chloro-4-methoxy-5-methylphenyl)-5-cyclopropyl-N-(2-cyclopropyl-1-phenylethyl)-N-prop-2-ynyl-1,2,4-triazol-3-amine hydrochloride IUPAC Name: 1-(2-chloro-4-methoxy-5-methylphenyl)-5-cyclopropyl-N-(2-cyclopropyl-1-phenylethyl)-N-prop-2-ynyl-1,2,4-triazol-3-amine hydrochloride Traditional Name: [1-(2-chloro-4-methoxy-5-methyl-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-(2-cyclopropyl-1-phenyl-ethyl)-propargyl-amine hydrochloride Formula: C27H30Cl2N4O MolecularWeight: 497.4593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)Cl)N2C(=NC(=N2)N(CC#C)C(CC3CC3)C4=CC=CC=C4)C5CC5.Cl

Isomeric SMILES

CC1=CC(=C(C=C1OC)Cl)N2C(=NC(=N2)N(CC#C)C(CC3CC3)C4=CC=CC=C4)C5CC5.Cl

InChI

InChI=1S/C27H29ClN4O.ClH/c1-4-14-31(23(16-19-10-11-19)20-8-6-5-7-9-20)27-29-26(21-12-13-21)32(30-27)24-15-18(2)25(33-3)17-22(24)28;/h1,5-9,15,17,19,21,23H,10-14,16H2,2-3H3;1H