N-[(4-but-2-ynoxyphenyl)methyl]-4-pyrazol-1-yl-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: N-[(4-but-2-ynoxyphenyl)methyl]-4-pyrazol-1-yl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: N-[(4-but-2-ynoxyphenyl)methyl]-4-pyrazol-1-yl-N-(3-pyridylmethyl)benzamide CAS Name: N-[(4-but-2-ynoxyphenyl)methyl]-4-(1-pyrazolyl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: N-[(4-but-2-ynoxyphenyl)methyl]-4-pyrazol-1-yl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-(4-but-2-ynoxybenzyl)-4-pyrazol-1-yl-N-(3-pyridylmethyl)benzamide Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C27H24N4O2/c1-2-3-18-33-26-13-7-22(8-14-26)20-30(21-23-6-4-15-28-19-23)27(32)24-9-11-25(12-10-24)31-17-5-16-29-31/h4-17,19H,18,20-21H2,1H3