ethyl 4-(8-chloranyl-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(8-chloranyl-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate Openeye Name: ethyl 4-(8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate CAS Name: 4-(8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylate Traditional Name: 4-(8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidine-1-carboxylic acid ethyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(=C2C3=C(C=C(C=C3)Cl)OCC4=C2N=CC=C4)CC1

Isomeric SMILES

CCOC(=O)N1CCC(=C2C3=C(C=C(C=C3)Cl)OCC4=C2N=CC=C4)CC1

InChI

InChI=1S/C21H21ClN2O3/c1-2-26-21(25)24-10-7-14(8-11-24)19-17-6-5-16(22)12-18(17)27-13-15-4-3-9-23-20(15)19/h3-6,9,12H,2,7-8,10-11,13H2,1H3