N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide

Systemtic Name: N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide Openeye Name: N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide CAS Name: N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-butenamide IUPAC Name: N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide Traditional Name: N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)OC)NC(=O)CC=C)C

Isomeric SMILES

CC1(C[C@@H](C2=C(C1)N(N=C2)C3=CC=C(C=C3)OC)NC(=O)CC=C)C

InChI

InChI=1S/C20H25N3O2/c1-5-6-19(24)22-17-11-20(2,3)12-18-16(17)13-21-23(18)14-7-9-15(25-4)10-8-14/h5,7-10,13,17H,1,6,11-12H2,2-4H3,(H,22,24)/t17-/m0/s1