(2S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]butan-2-amine

Systemtic Name: (2S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]butan-2-amine Openeye Name: (2S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]butan-2-amine CAS Name: (2S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl]-2-butanamine IUPAC Name: (2S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]butan-2-amine Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-[(1S)-1-methylpropyl]amine Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)NCC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-3-16(2)23-14-18-15-25(19-7-5-4-6-8-19)24-22(18)17-9-10-20-21(13-17)27-12-11-26-20/h4-10,13,15-16,23H,3,11-12,14H2,1-2H3/t16-/m0/s1