N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-6-propan-2-yloxy-pyridine-3-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-6-propan-2-yloxy-pyridine-3-carboxamide Openeye Name: 6-isopropoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyridine-3-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-6-propan-2-yloxy-3-pyridinecarboxamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-6-propan-2-yloxypyridine-3-carboxamide Traditional Name: 6-isopropoxy-N-[6-(3-ketopiperazino)-3-pyridyl]nicotinamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC(C)OC1=NC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C18H21N5O3/c1-12(2)26-17-6-3-13(9-21-17)18(25)22-14-4-5-15(20-10-14)23-8-7-19-16(24)11-23/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,24)(H,22,25)