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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCOC3=C(C2)C=C(C=C3OCC4=CSC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC(C1)C(=O)N2CCOC3=C(C2)C=C(C=C3OCC4=CSC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H24ClNO3S/c26-22-6-2-5-19(12-22)20-11-21-14-27(25(28)18-3-1-4-18)8-9-29-24(21)23(13-20)30-15-17-7-10-31-16-17/h2,5-7,10-13,16,18H,1,3-4,8-9,14-15H2