1,3-dimethyl-4-[5-phenyl-3-(prop-2-enylamino)-1H-pyrazol-4-yl]benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-4-[5-phenyl-3-(prop-2-enylamino)-1H-pyrazol-4-yl]benzimidazol-2-one Openeye Name: 4-[3-(allylamino)-5-phenyl-1H-pyrazol-4-yl]-1,3-dimethyl-benzimidazol-2-one CAS Name: 1,3-dimethyl-4-[5-phenyl-3-(prop-2-enylamino)-1H-pyrazol-4-yl]-2-benzimidazolone IUPAC Name: 1,3-dimethyl-4-[5-phenyl-3-(prop-2-enylamino)-1H-pyrazol-4-yl]benzimidazol-2-one Traditional Name: 4-[3-(allylamino)-5-phenyl-1H-pyrazol-4-yl]-1,3-dimethyl-benzimidazol-2-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2N(C1=O)C)C3=C(NN=C3NCC=C)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC(=C2N(C1=O)C)C3=C(NN=C3NCC=C)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O/c1-4-13-22-20-17(18(23-24-20)14-9-6-5-7-10-14)15-11-8-12-16-19(15)26(3)21(27)25(16)2/h4-12H,1,13H2,2-3H3,(H2,22,23,24)