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

Systemtic Name: N-(1-adamantylmethyl)-2-[3-[bis(3-oxidanylpropyl)amino]propylamino]-3-chloranyl-pyridine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-[3-[bis(3-hydroxypropyl)amino]propylamino]-3-chloro-pyridine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-2-[3-[bis(3-hydroxypropyl)amino]propylamino]-3-chloro-4-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-[3-[bis(3-hydroxypropyl)amino]propylamino]-3-chloropyridine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-[3-[bis(3-hydroxypropyl)amino]propylamino]-3-chloro-isonicotinamide Formula: C26H41ClN4O3 MolecularWeight: 493.08174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41ClN4O3/c27-23-22(25(34)30-18-26-15-19-12-20(16-26)14-21(13-19)17-26)4-6-29-24(23)28-5-1-7-31(8-2-10-32)9-3-11-33/h4,6,19-21,32-33H,1-3,5,7-18H2,(H,28,29)(H,30,34)