N-cyclopropyl-1-[1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]-4-piperidyl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-4-piperidinyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]-4-piperidyl]triazole-4-carboxamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)N2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OC)N2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

InChI

InChI=1S/C22H31N5O2/c1-16(3-4-17-5-9-20(29-2)10-6-17)26-13-11-19(12-14-26)27-15-21(24-25-27)22(28)23-18-7-8-18/h5-6,9-10,15-16,18-19H,3-4,7-8,11-14H2,1-2H3,(H,23,28)/t16-/m0/s1