(4-pyrazol-1-ylphenyl)-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: (4-pyrazol-1-ylphenyl)-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (4-pyrazol-1-ylphenyl)-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: [4-(1-pyrazolyl)phenyl]-[7-(3-pyridinyl)-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (4-pyrazol-1-ylphenyl)-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: (4-pyrazol-1-ylphenyl)-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C30H26N4O3S MolecularWeight: 522.61744

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1C(=O)C3=CC=C(C=C3)N4C=CC=N4)C=C(C=C2OCCC5=CC=CS5)C6=CN=CC=C6

Isomeric SMILES

C1COC2=C(CN1C(=O)C3=CC=C(C=C3)N4C=CC=N4)C=C(C=C2OCCC5=CC=CS5)C6=CN=CC=C6

InChI

InChI=1S/C30H26N4O3S/c35-30(22-6-8-26(9-7-22)34-13-3-12-32-34)33-14-16-37-29-25(21-33)18-24(23-4-1-11-31-20-23)19-28(29)36-15-10-27-5-2-17-38-27/h1-9,11-13,17-20H,10,14-16,21H2