1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Openeye Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C1OCCN(C2)C(=O)CCN3C=CC(=N3)C)C4=CSC5=CC=CC=C54

Isomeric SMILES

CCOC1=CC(=CC2=C1OCCN(C2)C(=O)CCN3C=CC(=N3)C)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C26H27N3O3S/c1-3-31-23-15-19(22-17-33-24-7-5-4-6-21(22)24)14-20-16-28(12-13-32-26(20)23)25(30)9-11-29-10-8-18(2)27-29/h4-8,10,14-15,17H,3,9,11-13,16H2,1-2H3