N-[2-[[(4-butoxyphenyl)carbonyl-ethyl-amino]methyl]-4-chloranyl-phenyl]pyridine-2-carboxamide

Systemtic Name: N-[2-[[(4-butoxyphenyl)carbonyl-ethyl-amino]methyl]-4-chloranyl-phenyl]pyridine-2-carboxamide Openeye Name: N-[2-[[(4-butoxybenzoyl)-ethyl-amino]methyl]-4-chloro-phenyl]pyridine-2-carboxamide CAS Name: N-[2-[[[(4-butoxyphenyl)-oxomethyl]-ethylamino]methyl]-4-chlorophenyl]-2-pyridinecarboxamide IUPAC Name: N-[2-[[(4-butoxybenzoyl)-ethylamino]methyl]-4-chlorophenyl]pyridine-2-carboxamide Traditional Name: N-[2-[[(4-butoxybenzoyl)-ethyl-amino]methyl]-4-chloro-phenyl]picolinamide Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC)CC2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CC=N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC)CC2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C26H28ClN3O3/c1-3-5-16-33-22-12-9-19(10-13-22)26(32)30(4-2)18-20-17-21(27)11-14-23(20)29-25(31)24-8-6-7-15-28-24/h6-15,17H,3-5,16,18H2,1-2H3,(H,29,31)