3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-ethoxy-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-ethoxy-1H-quinolin-2-one Openeye Name: 3-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-ethoxy-1H-quinolin-2-one CAS Name: 3-[(1-tert-butyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-ethoxy-1H-quinolin-2-one IUPAC Name: 3-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-ethoxy-1H-quinolin-2-one Traditional Name: 3-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-ethoxy-carbostyril Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H30N6O2/c1-5-34-20-10-11-22-19(14-20)15-21(25(33)27-22)23(24-28-29-30-32(24)26(2,3)4)31-13-12-17-8-6-7-9-18(17)16-31/h6-11,14-15,23H,5,12-13,16H2,1-4H3,(H,27,33)