1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-phenyl-2-pyrazolin-1-yl)butane-1,4-dione Formula: C22H23N3O2 MolecularWeight: 361.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c26-21(24-14-12-17-6-4-5-9-19(17)16-24)10-11-22(27)25-15-13-20(23-25)18-7-2-1-3-8-18/h1-9H,10-16H2