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

Systemtic Name: 3-[[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one Openeye Name: 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-pyridylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one CAS Name: 3-[[(1-cyclohexyl-5-tetrazolyl)methyl-(3-pyridinylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one IUPAC Name: 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one Traditional Name: 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-pyridylmethyl)amino]methyl]-6-ethoxy-carbostyril Formula: C26H31N7O2 MolecularWeight: 473.57004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)CC4=NN=NN4C5CCCCC5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)CC4=NN=NN4C5CCCCC5

InChI

InChI=1S/C26H31N7O2/c1-2-35-23-10-11-24-20(14-23)13-21(26(34)28-24)17-32(16-19-7-6-12-27-15-19)18-25-29-30-31-33(25)22-8-4-3-5-9-22/h6-7,10-15,22H,2-5,8-9,16-18H2,1H3,(H,28,34)