[9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyridin-4-yl-methanone

Systemtic Name: [9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyridin-4-yl-methanone Openeye Name: [9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-pyridyl)methanone CAS Name: [9-methoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyridin-4-ylmethanone IUPAC Name: [9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyridin-4-ylmethanone Traditional Name: [9-methoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-pyridyl)methanone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H20N2O3S/c1-14-3-4-19(27-14)16-11-17-13-23(21(24)15-5-7-22-8-6-15)9-10-26-20(17)18(12-16)25-2/h3-8,11-12H,9-10,13H2,1-2H3