N-(1-adamantylmethyl)-2-[2-azanylethyl(2-hydroxyethyl)amino]-5-chloranyl-pyridine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-[2-azanylethyl(2-hydroxyethyl)amino]-5-chloranyl-pyridine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-[2-aminoethyl(2-hydroxyethyl)amino]-5-chloro-pyridine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-2-[2-aminoethyl(2-hydroxyethyl)amino]-5-chloro-4-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-[2-aminoethyl(2-hydroxyethyl)amino]-5-chloropyridine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-[2-aminoethyl(2-hydroxyethyl)amino]-5-chloro-isonicotinamide Formula: C21H31ClN4O2 MolecularWeight: 406.94944

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)N(CCN)CCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)N(CCN)CCO

InChI

InChI=1S/C21H31ClN4O2/c22-18-12-24-19(26(2-1-23)3-4-27)8-17(18)20(28)25-13-21-9-14-5-15(10-21)7-16(6-14)11-21/h8,12,14-16,27H,1-7,9-11,13,23H2,(H,25,28)