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

Systemtic Name: (4-morpholin-4-ylphenyl)-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (4-morpholinophenyl)-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: [4-(4-morpholinyl)phenyl]-[7-(3-pyridinyl)-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (4-morpholin-4-ylphenyl)-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: (4-morpholinophenyl)-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C31H31N3O4S MolecularWeight: 541.66054

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C(=O)N3CCOC4=C(C3)C=C(C=C4OCCC5=CC=CS5)C6=CN=CC=C6

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)N3CCOC4=C(C3)C=C(C=C4OCCC5=CC=CS5)C6=CN=CC=C6

InChI

InChI=1S/C31H31N3O4S/c35-31(23-5-7-27(8-6-23)33-11-15-36-16-12-33)34-13-17-38-30-26(22-34)19-25(24-3-1-10-32-21-24)20-29(30)37-14-9-28-4-2-18-39-28/h1-8,10,18-21H,9,11-17,22H2