4-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-4-yl]-2-[2-(2-phenoxyethylamino)ethyl]-1,2,4-triazol-3-one hydrochloride

Systemtic Name: 4-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-4-yl]-2-[2-(2-phenoxyethylamino)ethyl]-1,2,4-triazol-3-one hydrochloride Openeye Name: 4-[1-[(E)-2-methyl-3-phenyl-allyl]-4-piperidyl]-2-[2-(2-phenoxyethylamino)ethyl]-1,2,4-triazol-3-one hydrochloride CAS Name: 4-[1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidinyl]-2-[2-(2-phenoxyethylamino)ethyl]-1,2,4-triazol-3-one hydrochloride IUPAC Name: 4-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]-2-[2-(2-phenoxyethylamino)ethyl]-1,2,4-triazol-3-one hydrochloride Traditional Name: 4-[1-[(E)-2-methyl-3-phenyl-allyl]-4-piperidyl]-2-[2-(2-phenoxyethylamino)ethyl]-1,2,4-triazol-3-one hydrochloride Formula: C27H36ClN5O2 MolecularWeight: 498.06004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN2CCC(CC2)N3C=NN(C3=O)CCNCCOC4=CC=CC=C4.Cl

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN2CCC(CC2)N3C=NN(C3=O)CCNCCOC4=CC=CC=C4.Cl

InChI

InChI=1S/C27H35N5O2.ClH/c1-23(20-24-8-4-2-5-9-24)21-30-16-12-25(13-17-30)31-22-29-32(27(31)33)18-14-28-15-19-34-26-10-6-3-7-11-26;/h2-11,20,22,25,28H,12-19,21H2,1H3;1H/b23-20+;