N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-3-enamide

Systemtic Name: N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-3-enamide Openeye Name: N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-3-enamide CAS Name: N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-butenamide IUPAC Name: N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-3-enamide Traditional Name: N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-3-enamide Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-5-7-20(25)23-18-8-6-9-19-17(18)14-22-24(19)16-12-10-15(11-13-16)21(2,3)4/h5,10-14,18H,1,6-9H2,2-4H3,(H,23,25)/t18-/m1/s1