N-[4-tert-butyl-3-(pyrrolidin-2-ylmethoxy)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: N-[4-tert-butyl-3-(pyrrolidin-2-ylmethoxy)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: N-[4-tert-butyl-3-(pyrrolidin-2-ylmethoxy)phenyl]-2-(4-pyridylmethylamino)pyridine-3-carboxamide CAS Name: N-[4-tert-butyl-3-(2-pyrrolidinylmethoxy)phenyl]-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide IUPAC Name: N-[4-tert-butyl-3-(pyrrolidin-2-ylmethoxy)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: N-[4-tert-butyl-3-(pyrrolidin-2-ylmethoxy)phenyl]-2-(4-pyridylmethylamino)nicotinamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3)OCC4CCCN4

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3)OCC4CCCN4

InChI

InChI=1S/C27H33N5O2/c1-27(2,3)23-9-8-20(16-24(23)34-18-21-6-4-12-29-21)32-26(33)22-7-5-13-30-25(22)31-17-19-10-14-28-15-11-19/h5,7-11,13-16,21,29H,4,6,12,17-18H2,1-3H3,(H,30,31)(H,32,33)