[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-fluorophenyl)methanone

Systemtic Name: [9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-fluorophenyl)methanone Openeye Name: [9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-fluorophenyl)methanone CAS Name: [9-but-3-ynoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-fluorophenyl)methanone IUPAC Name: [9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-fluorophenyl)methanone Traditional Name: [9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-fluorophenyl)methanone Formula: C25H22FNO3S MolecularWeight: 435.510483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FNO3S/c1-3-4-12-29-22-15-19(23-10-5-17(2)31-23)14-20-16-27(11-13-30-24(20)22)25(28)18-6-8-21(26)9-7-18/h1,5-10,14-15H,4,11-13,16H2,2H3