N-[4-tert-butyl-3-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: N-[4-tert-butyl-3-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: N-[4-tert-butyl-3-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridylmethylamino)pyridine-3-carboxamide CAS Name: N-[4-tert-butyl-3-(4-methyl-1-piperazinyl)phenyl]-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide IUPAC Name: N-[4-tert-butyl-3-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: N-[4-tert-butyl-3-(4-methylpiperazino)phenyl]-2-(4-pyridylmethylamino)nicotinamide Formula: C27H34N6O MolecularWeight: 458.59846

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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)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3)N4CCN(CC4)C

InChI

InChI=1S/C27H34N6O/c1-27(2,3)23-8-7-21(18-24(23)33-16-14-32(4)15-17-33)31-26(34)22-6-5-11-29-25(22)30-19-20-9-12-28-13-10-20/h5-13,18H,14-17,19H2,1-4H3,(H,29,30)(H,31,34)