1,5-dimethyl-2-phenyl-4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(1-spiro[4H-isoquinoline-3,1'-cyclohexane]ylamino)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)-3-pyrazolin-3-one Formula: C25H28N4O MolecularWeight: 400.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4(CCCCC4)CC5=CC=CC=C53

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4(CCCCC4)CC5=CC=CC=C53

InChI

InChI=1S/C25H28N4O/c1-18-22(24(30)29(28(18)2)20-12-5-3-6-13-20)26-23-21-14-8-7-11-19(21)17-25(27-23)15-9-4-10-16-25/h3,5-8,11-14H,4,9-10,15-17H2,1-2H3,(H,26,27)