ethyl 6-[4-(5-ethoxycarbonylpyridin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(5-ethoxycarbonylpyridin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(5-ethoxycarbonyl-2-pyridyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(5-ethoxycarbonylpyridin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(5-carbethoxy-2-pyridyl)-1,4-diazepan-1-yl]nicotinic acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCCN(CC2)C3=NC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCCN(CC2)C3=NC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H26N4O4/c1-3-28-20(26)16-6-8-18(22-14-16)24-10-5-11-25(13-12-24)19-9-7-17(15-23-19)21(27)29-4-2/h6-9,14-15H,3-5,10-13H2,1-2H3