5-(2-isocyanoethanoyl)-2-[(4-methoxyphenyl)methyl]-N-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: 5-(2-isocyanoethanoyl)-2-[(4-methoxyphenyl)methyl]-N-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: N-benzyl-5-(2-isocyanoacetyl)-2-[(4-methoxyphenyl)methyl]pyrazole-3-carboxamide CAS Name: 5-(2-isocyano-1-oxoethyl)-2-[(4-methoxyphenyl)methyl]-N-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-benzyl-5-(2-isocyanoacetyl)-2-[(4-methoxyphenyl)methyl]pyrazole-3-carboxamide Traditional Name: N-benzyl-5-(2-isocyanoacetyl)-2-p-anisyl-pyrazole-3-carboxamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=CC(=N2)C(=O)C[N+]#[C-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=CC(=N2)C(=O)C[N+]#[C-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O3/c1-23-14-21(27)19-12-20(22(28)24-13-16-6-4-3-5-7-16)26(25-19)15-17-8-10-18(29-2)11-9-17/h3-12H,13-15H2,2H3,(H,24,28)