3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methoxy-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]-6-methoxy-1H-quinolin-2-one Openeye Name: 3-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methoxy-1H-quinolin-2-one CAS Name: 3-[(1-tert-butyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methoxy-1H-quinolin-2-one IUPAC Name: 3-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methoxy-1H-quinolin-2-one Traditional Name: 3-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methoxy-carbostyril Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=CC(=C3)OC)NC2=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=CC(=C3)OC)NC2=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H28N6O2/c1-25(2,3)31-23(27-28-29-31)22(30-12-11-16-7-5-6-8-17(16)15-30)20-14-18-13-19(33-4)9-10-21(18)26-24(20)32/h5-10,13-14,22H,11-12,15H2,1-4H3,(H,26,32)