ethyl 2-[4-(3-chloranyl-2-methyl-7-oxidanylidene-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]pyridine-4-carboxylate

Systemtic Name: ethyl 2-[4-(3-chloranyl-2-methyl-7-oxidanylidene-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]pyridine-4-carboxylate Openeye Name: ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-1-piperidyl]pyridine-4-carboxylate CAS Name: 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-1-piperidinyl]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]pyridine-4-carboxylate Traditional Name: 2-[4-(3-chloro-7-keto-2-methyl-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidino]isonicotinic acid ethyl ester Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC=C1)N2CCC(CC2)N3C=CC4=C(C3=O)NC(=C4Cl)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC=C1)N2CCC(CC2)N3C=CC4=C(C3=O)NC(=C4Cl)C

InChI

InChI=1S/C21H23ClN4O3/c1-3-29-21(28)14-4-8-23-17(12-14)25-9-5-15(6-10-25)26-11-7-16-18(22)13(2)24-19(16)20(26)27/h4,7-8,11-12,15,24H,3,5-6,9-10H2,1-2H3