4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-7-methyl-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CC(OC3=C(C2)C=C(C=C3)C)C4=CSC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CC(OC3=C(C2)C=C(C=C3)C)C4=CSC=C4

InChI

InChI=1S/C21H25N3OS/c1-4-24-12-19(16(3)22-24)11-23-10-18-9-15(2)5-6-20(18)25-21(13-23)17-7-8-26-14-17/h5-9,12,14,21H,4,10-11,13H2,1-3H3