1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-phenylindazol-1-yl)butan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-phenylindazol-1-yl)butan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-phenylindazol-1-yl)butan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-phenyl-1-indazolyl)-1-butanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-phenylindazol-1-yl)butan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-phenylindazol-1-yl)butan-1-one Formula: C26H25N3O MolecularWeight: 395.4962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O/c30-25(28-18-16-20-9-4-5-12-22(20)19-28)15-8-17-29-24-14-7-6-13-23(24)26(27-29)21-10-2-1-3-11-21/h1-7,9-14H,8,15-19H2