N-[3-oxidanylidene-3-(pyridin-4-ylmethylamino)propyl]-N-(2-piperidin-1-ylethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-(pyridin-4-ylmethylamino)propyl]-N-(2-piperidin-1-ylethyl)pyrazine-2-carboxamide Openeye Name: N-[3-oxo-3-(4-pyridylmethylamino)propyl]-N-[2-(1-piperidyl)ethyl]pyrazine-2-carboxamide CAS Name: N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-N-[2-(1-piperidinyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-N-(2-piperidin-1-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-keto-3-(4-pyridylmethylamino)propyl]-N-(2-piperidinoethyl)pyrazinamide Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN(CCC(=O)NCC2=CC=NC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1CCN(CC1)CCN(CCC(=O)NCC2=CC=NC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C21H28N6O2/c28-20(25-16-18-4-7-22-8-5-18)6-13-27(15-14-26-11-2-1-3-12-26)21(29)19-17-23-9-10-24-19/h4-5,7-10,17H,1-3,6,11-16H2,(H,25,28)