1-(4-fluorophenyl)-4-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butane-1,4-dione

Systemtic Name: 1-(4-fluorophenyl)-4-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butane-1,4-dione Openeye Name: 1-(4-fluorophenyl)-4-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butane-1,4-dione CAS Name: 1-(4-fluorophenyl)-4-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butane-1,4-dione IUPAC Name: 1-(4-fluorophenyl)-4-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butane-1,4-dione Traditional Name: 1-(4-fluorophenyl)-4-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butane-1,4-dione Formula: C24H22FNO4S MolecularWeight: 439.499183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CCC(=O)C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CCC(=O)C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C24H22FNO4S/c1-29-21-14-17(22-3-2-12-31-22)13-18-15-26(10-11-30-24(18)21)23(28)9-8-20(27)16-4-6-19(25)7-5-16/h2-7,12-14H,8-11,15H2,1H3