2-butyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 2-butyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 2-butyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 2-butyl-4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 2-butyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 2-butyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O/c1-5-7-11-19-14-23(13-18-10-8-9-12-21(18)25-19)15-20-16(3)22-24(6-2)17(20)4/h8-10,12,19H,5-7,11,13-15H2,1-4H3