1-ethyl-N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzotriazole-5-carboxamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-methyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-5-benzotriazolecarboxamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-benzotriazole-5-carboxamide Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N(C)CC3=CN(N=C3)CC4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N(C)CC3=CN(N=C3)CC4=CC=CC=C4)N=N1

InChI

InChI=1S/C21H22N6O/c1-3-27-20-10-9-18(11-19(20)23-24-27)21(28)25(2)13-17-12-22-26(15-17)14-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3