6-methyl-3-[[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one

Systemtic Name: 6-methyl-3-[[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one Openeye Name: 6-methyl-3-[[(1-phenethyltetrazol-5-yl)methyl-(3-pyridylmethyl)amino]methyl]-1H-quinolin-2-one CAS Name: 6-methyl-3-[[(1-phenethyl-5-tetrazolyl)methyl-(3-pyridinylmethyl)amino]methyl]-1H-quinolin-2-one IUPAC Name: 6-methyl-3-[[(1-phenethyltetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one Traditional Name: 6-methyl-3-[[(1-phenethyltetrazol-5-yl)methyl-(3-pyridylmethyl)amino]methyl]carbostyril Formula: C27H27N7O MolecularWeight: 465.54958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)CC4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C27H27N7O/c1-20-9-10-25-23(14-20)15-24(27(35)29-25)18-33(17-22-8-5-12-28-16-22)19-26-30-31-32-34(26)13-11-21-6-3-2-4-7-21/h2-10,12,14-16H,11,13,17-19H2,1H3,(H,29,35)