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

Systemtic Name: 3-[[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)methyl-phenethyl-amino]methyl]-6-ethyl-1H-quinolin-2-one Openeye Name: 3-[[(1-cyclopentyltetrazol-5-yl)methyl-phenethyl-amino]methyl]-6-ethyl-1H-quinolin-2-one CAS Name: 3-[[(1-cyclopentyl-5-tetrazolyl)methyl-phenethylamino]methyl]-6-ethyl-1H-quinolin-2-one IUPAC Name: 3-[[(1-cyclopentyltetrazol-5-yl)methyl-phenethylamino]methyl]-6-ethyl-1H-quinolin-2-one Traditional Name: 3-[[(1-cyclopentyltetrazol-5-yl)methyl-phenethyl-amino]methyl]-6-ethyl-carbostyril Formula: C27H32N6O MolecularWeight: 456.58258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3)CC4=NN=NN4C5CCCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3)CC4=NN=NN4C5CCCC5

InChI

InChI=1S/C27H32N6O/c1-2-20-12-13-25-22(16-20)17-23(27(34)28-25)18-32(15-14-21-8-4-3-5-9-21)19-26-29-30-31-33(26)24-10-6-7-11-24/h3-5,8-9,12-13,16-17,24H,2,6-7,10-11,14-15,18-19H2,1H3,(H,28,34)