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

Systemtic Name: cyclobutyl-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: cyclobutyl-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: cyclobutyl-[7-(3-pyridinyl)-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: cyclobutyl-[7-pyridin-3-yl-9-(2-thiophen-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: cyclobutyl-[7-(3-pyridyl)-9-[2-(2-thienyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCOC3=C(C2)C=C(C=C3OCCC4=CC=CS4)C5=CN=CC=C5

Isomeric SMILES

C1CC(C1)C(=O)N2CCOC3=C(C2)C=C(C=C3OCCC4=CC=CS4)C5=CN=CC=C5

InChI

InChI=1S/C25H26N2O3S/c28-25(18-4-1-5-18)27-10-12-30-24-21(17-27)14-20(19-6-2-9-26-16-19)15-23(24)29-11-8-22-7-3-13-31-22/h2-3,6-7,9,13-16,18H,1,4-5,8,10-12,17H2