ethyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperazin-1-yl]-5-chloranyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperazin-1-yl]-5-chloranyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperazin-1-yl]-5-chloro-pyridine-3-carboxylate CAS Name: 6-[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-1-piperazinyl]-5-chloro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperazin-1-yl]-5-chloropyridine-3-carboxylate Traditional Name: 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperazino]-5-chloro-nicotinic acid ethyl ester Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H21ClN4O5/c1-2-28-19(26)13-9-15(21)18(22-11-13)24-5-7-25(8-6-24)20(27)23-14-3-4-16-17(10-14)30-12-29-16/h3-4,9-11H,2,5-8,12H2,1H3,(H,23,27)