(2S)-2-butyl-4-(1H-pyrazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: (2S)-2-butyl-4-(1H-pyrazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (2S)-2-butyl-4-(1H-pyrazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (2S)-2-butyl-4-(1H-pyrazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (2S)-2-butyl-4-(1H-pyrazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (2S)-2-butyl-4-(1H-pyrazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C17H23N3O MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)CC3=CC=NN3

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)CC3=CC=NN3

InChI

InChI=1S/C17H23N3O/c1-2-3-7-16-13-20(12-15-9-10-18-19-15)11-14-6-4-5-8-17(14)21-16/h4-6,8-10,16H,2-3,7,11-13H2,1H3,(H,18,19)/t16-/m0/s1