3-(4-methylphenyl)-1-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

Systemtic Name: 3-(4-methylphenyl)-1-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Openeye Name: 3-(p-tolyl)-1-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 3-(4-methylphenyl)-1-[7-(3-pyridinyl)-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 3-(4-methylphenyl)-1-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 3-(p-tolyl)-1-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C30H30N2O3S MolecularWeight: 498.6358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OCCC4=CC=CS4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OCCC4=CC=CS4)C5=CN=CC=C5

InChI

InChI=1S/C30H30N2O3S/c1-22-6-8-23(9-7-22)10-11-29(33)32-14-16-35-30-26(21-32)18-25(24-4-2-13-31-20-24)19-28(30)34-15-12-27-5-3-17-36-27/h2-9,13,17-20H,10-12,14-16,21H2,1H3