7-(1-benzothiophen-3-yl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(1-benzothiophen-3-yl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(benzothiophen-3-yl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1-benzothiophen-3-yl)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1-benzothiophen-3-yl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(benzothiophen-3-yl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C1OCCN(C2)CC3=CN(N=C3C)C)C4=CSC5=CC=CC=C54

Isomeric SMILES

CCOC1=CC(=CC2=C1OCCN(C2)CC3=CN(N=C3C)C)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O2S/c1-4-29-23-12-18(22-16-31-24-8-6-5-7-21(22)24)11-19-14-28(9-10-30-25(19)23)15-20-13-27(3)26-17(20)2/h5-8,11-13,16H,4,9-10,14-15H2,1-3H3