(2S)-2-butyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: (2S)-2-butyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (2S)-2-butyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (2S)-2-butyl-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (2S)-2-butyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (2S)-2-butyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C19H27N3O MolecularWeight: 313.43718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)CC3=CN(N=C3C)C

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)CC3=CN(N=C3C)C

InChI

InChI=1S/C19H27N3O/c1-4-5-9-18-14-22(13-17-11-21(3)20-15(17)2)12-16-8-6-7-10-19(16)23-18/h6-8,10-11,18H,4-5,9,12-14H2,1-3H3/t18-/m0/s1