2-azanyl-N-[(3-but-2-ynoxyphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-azanyl-N-[(3-but-2-ynoxyphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-amino-N-[(3-but-2-ynoxyphenyl)methyl]pyridine-3-carboxamide CAS Name: 2-amino-N-[(3-but-2-ynoxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-amino-N-[(3-but-2-ynoxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-amino-N-(3-but-2-ynoxybenzyl)nicotinamide Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC(=C1)CNC(=O)C2=C(N=CC=C2)N

Isomeric SMILES

CC#CCOC1=CC=CC(=C1)CNC(=O)C2=C(N=CC=C2)N

InChI

InChI=1S/C17H17N3O2/c1-2-3-10-22-14-7-4-6-13(11-14)12-20-17(21)15-8-5-9-19-16(15)18/h4-9,11H,10,12H2,1H3,(H2,18,19)(H,20,21)