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

Systemtic Name: 2-butyl-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 2-butyl-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 2-butyl-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 2-butyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 2-butyl-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H29N3O MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O/c1-4-6-10-19-15-22(12-17-9-7-8-11-20(17)24-19)13-18-14-23(5-2)21-16(18)3/h7-9,11,14,19H,4-6,10,12-13,15H2,1-3H3