6,7-dimethyl-3-[[phenethyl-[(1S)-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one

Systemtic Name: 6,7-dimethyl-3-[[phenethyl-[(1S)-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one Openeye Name: 3-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-phenethyl-amino]methyl]-6,7-dimethyl-1H-quinolin-2-one CAS Name: 6,7-dimethyl-3-[[phenethyl-[(1S)-1-[1-(phenylmethyl)-5-tetrazolyl]propyl]amino]methyl]-1H-quinolin-2-one IUPAC Name: 3-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-phenethylamino]methyl]-6,7-dimethyl-1H-quinolin-2-one Traditional Name: 3-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-phenethyl-amino]methyl]-6,7-dimethyl-carbostyril Formula: C31H34N6O MolecularWeight: 506.64126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2=CC=CC=C2)N(CCC3=CC=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1CC2=CC=CC=C2)N(CCC3=CC=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C31H34N6O/c1-4-29(30-33-34-35-37(30)20-25-13-9-6-10-14-25)36(16-15-24-11-7-5-8-12-24)21-27-19-26-17-22(2)23(3)18-28(26)32-31(27)38/h5-14,17-19,29H,4,15-16,20-21H2,1-3H3,(H,32,38)/t29-/m0/s1