ethyl 1-(1H-benzimidazol-2-yl)-5-[[bis(prop-2-enyl)amino]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-yl)-5-[[bis(prop-2-enyl)amino]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-yl)-5-[(diallylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(1H-benzimidazol-2-yl)-5-[[bis(prop-2-enyl)amino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-yl)-5-[[bis(prop-2-enyl)amino]methyl]pyrazole-4-carboxylate Traditional Name: 1-(1H-benzimidazol-2-yl)-5-[(diallylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3N2)CN(CC=C)CC=C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3N2)CN(CC=C)CC=C

InChI

InChI=1S/C20H23N5O2/c1-4-11-24(12-5-2)14-18-15(19(26)27-6-3)13-21-25(18)20-22-16-9-7-8-10-17(16)23-20/h4-5,7-10,13H,1-2,6,11-12,14H2,3H3,(H,22,23)