N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methyl-but-2-enamide

Systemtic Name: N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methyl-but-2-enamide Openeye Name: N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methyl-but-2-enamide CAS Name: N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methyl-2-butenamide IUPAC Name: N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbut-2-enamide Traditional Name: N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methyl-but-2-enamide Formula: C20H25N3O MolecularWeight: 323.432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C=C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C3=C(C=N2)[C@H](CCC3)NC(=O)C=C(C)C)C

InChI

InChI=1S/C20H25N3O/c1-13(2)11-20(24)22-17-8-6-10-19-16(17)12-21-23(19)18-9-5-7-14(3)15(18)4/h5,7,9,11-12,17H,6,8,10H2,1-4H3,(H,22,24)/t17-/m0/s1