3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-8-methyl-1H-quinolin-2-one

Systemtic Name: 3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-8-methyl-1H-quinolin-2-one Openeye Name: 3-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-8-methyl-1H-quinolin-2-one CAS Name: 3-[(1-tert-butyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-8-methyl-1H-quinolin-2-one IUPAC Name: 3-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-8-methyl-1H-quinolin-2-one Traditional Name: 3-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-8-methyl-carbostyril Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H28N6O/c1-16-8-7-11-18-14-20(24(32)26-21(16)18)22(23-27-28-29-31(23)25(2,3)4)30-13-12-17-9-5-6-10-19(17)15-30/h5-11,14,22H,12-13,15H2,1-4H3,(H,26,32)