N-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine

Systemtic Name: N-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine Openeye Name: 2-(3-methoxyphenyl)-N-[[1-[(1S)-1-methylpropyl]pyrazol-4-yl]methyl]ethanamine CAS Name: N-[[1-[(2S)-butan-2-yl]-4-pyrazolyl]methyl]-2-(3-methoxyphenyl)ethanamine IUPAC Name: N-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine Traditional Name: 2-(3-methoxyphenyl)ethyl-[[1-[(1S)-1-methylpropyl]pyrazol-4-yl]methyl]amine Formula: C17H25N3O MolecularWeight: 287.3999

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C=N1)CNCCC2=CC(=CC=C2)OC

Isomeric SMILES

CC[C@H](C)N1C=C(C=N1)CNCCC2=CC(=CC=C2)OC

InChI

InChI=1S/C17H25N3O/c1-4-14(2)20-13-16(12-19-20)11-18-9-8-15-6-5-7-17(10-15)21-3/h5-7,10,12-14,18H,4,8-9,11H2,1-3H3/t14-/m0/s1