1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one

Systemtic Name: 1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Openeye Name: 1-[7-(3-chlorophenyl)-9-(3-thienylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one CAS Name: 1-[7-(3-chlorophenyl)-9-(3-thiophenylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-penten-1-one IUPAC Name: 1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Traditional Name: 1-[7-(3-chlorophenyl)-9-(3-thenyloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Formula: C25H24ClNO3S MolecularWeight: 453.98096

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3=CSC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C=CCCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3=CSC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H24ClNO3S/c1-2-3-7-24(28)27-9-10-29-25-21(15-27)12-20(19-5-4-6-22(26)13-19)14-23(25)30-16-18-8-11-31-17-18/h2,4-6,8,11-14,17H,1,3,7,9-10,15-16H2