4-[5-(1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclopentyl-2-pyridin-2-yl-butan-1-one

Systemtic Name: 4-[5-(1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclopentyl-2-pyridin-2-yl-butan-1-one Openeye Name: 4-[5-(benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclopentyl-2-(2-pyridyl)butan-1-one CAS Name: 4-[5-(7-benzofuranyl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclopentyl-2-(2-pyridinyl)-1-butanone IUPAC Name: 4-[5-(1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclopentyl-2-pyridin-2-ylbutan-1-one Traditional Name: 4-[5-(benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclopentyl-2-(2-pyridyl)butan-1-one Formula: C28H32N2O2 MolecularWeight: 428.56588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)C(CCN2CCCC(=CC2)C3=CC=CC4=C3OC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CCC(C1)C(=O)C(CCN2CCCC(=CC2)C3=CC=CC4=C3OC=C4)C5=CC=CC=N5

InChI

InChI=1S/C28H32N2O2/c31-27(22-7-1-2-8-22)25(26-12-3-4-16-29-26)14-19-30-17-6-10-21(13-18-30)24-11-5-9-23-15-20-32-28(23)24/h3-5,9,11-13,15-16,20,22,25H,1-2,6-8,10,14,17-19H2