1-[4-(3-bromanyl-8-chloranyl-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]-2-pyridin-4-yl-ethanone

Systemtic Name: 1-[4-(3-bromanyl-8-chloranyl-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]-2-pyridin-4-yl-ethanone Openeye Name: 1-[4-(3-bromo-8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-1-piperidyl]-2-(4-pyridyl)ethanone CAS Name: 1-[4-(3-bromo-8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-1-piperidinyl]-2-pyridin-4-ylethanone IUPAC Name: 1-[4-(3-bromo-8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone Traditional Name: 1-[4-(3-bromo-8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidino]-2-(4-pyridyl)ethanone Formula: C25H21BrClN3O2 MolecularWeight: 510.81014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C2C3=C(C=C(C=C3)Cl)OCC4=CC(=CN=C42)Br)C(=O)CC5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1=C2C3=C(C=C(C=C3)Cl)OCC4=CC(=CN=C42)Br)C(=O)CC5=CC=NC=C5

InChI

InChI=1S/C25H21BrClN3O2/c26-19-12-18-15-32-22-13-20(27)1-2-21(22)24(25(18)29-14-19)17-5-9-30(10-6-17)23(31)11-16-3-7-28-8-4-16/h1-4,7-8,12-14H,5-6,9-11,15H2