N-(1-adamantylmethyl)-2-[3-[bis(2-hydroxyethyl)amino]propylamino]-3-chloranyl-pyridine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-[3-[bis(2-hydroxyethyl)amino]propylamino]-3-chloranyl-pyridine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-[3-[bis(2-hydroxyethyl)amino]propylamino]-3-chloro-pyridine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-2-[3-[bis(2-hydroxyethyl)amino]propylamino]-3-chloro-4-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-[3-[bis(2-hydroxyethyl)amino]propylamino]-3-chloropyridine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-[3-[bis(2-hydroxyethyl)amino]propylamino]-3-chloro-isonicotinamide Formula: C24H37ClN4O3 MolecularWeight: 465.02858

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C(=NC=C4)NCCCN(CCO)CCO)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C(=NC=C4)NCCCN(CCO)CCO)Cl

InChI

InChI=1S/C24H37ClN4O3/c25-21-20(2-4-27-22(21)26-3-1-5-29(6-8-30)7-9-31)23(32)28-16-24-13-17-10-18(14-24)12-19(11-17)15-24/h2,4,17-19,30-31H,1,3,5-16H2,(H,26,27)(H,28,32)