N-(4-prop-1-ynylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: N-(4-prop-1-ynylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: N-(4-prop-1-ynylphenyl)-2-(4-pyridylmethylamino)pyridine-3-carboxamide CAS Name: N-(4-prop-1-ynylphenyl)-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide IUPAC Name: N-(4-prop-1-ynylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: N-(4-prop-1-ynylphenyl)-2-(4-pyridylmethylamino)nicotinamide Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3

Isomeric SMILES

CC#CC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3

InChI

InChI=1S/C21H18N4O/c1-2-4-16-6-8-18(9-7-16)25-21(26)19-5-3-12-23-20(19)24-15-17-10-13-22-14-11-17/h3,5-14H,15H2,1H3,(H,23,24)(H,25,26)