3,4-bis(chloranyl)-N-[4-[(6-pyrazol-1-ylpyridin-2-yl)methylamino]but-2-ynyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[4-[(6-pyrazol-1-ylpyridin-2-yl)methylamino]but-2-ynyl]benzamide Openeye Name: 3,4-dichloro-N-[4-[(6-pyrazol-1-yl-2-pyridyl)methylamino]but-2-ynyl]benzamide CAS Name: 3,4-dichloro-N-[4-[[6-(1-pyrazolyl)-2-pyridinyl]methylamino]but-2-ynyl]benzamide IUPAC Name: 3,4-dichloro-N-[4-[(6-pyrazol-1-ylpyridin-2-yl)methylamino]but-2-ynyl]benzamide Traditional Name: 3,4-dichloro-N-[4-[(6-pyrazol-1-yl-2-pyridyl)methylamino]but-2-ynyl]benzamide Formula: C20H17Cl2N5O MolecularWeight: 414.28788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)N2C=CC=N2)CNCC#CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=NC(=C1)N2C=CC=N2)CNCC#CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H17Cl2N5O/c21-17-8-7-15(13-18(17)22)20(28)24-10-2-1-9-23-14-16-5-3-6-19(26-16)27-12-4-11-25-27/h3-8,11-13,23H,9-10,14H2,(H,24,28)