3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-cyclohexylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one

Systemtic Name: 3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-cyclohexylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one Openeye Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-cyclohexylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one CAS Name: 3-[(1-tert-butyl-5-tetrazolyl)-(4-cyclohexyl-1-piperazinyl)methyl]-6-ethoxy-1H-quinolin-2-one IUPAC Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-cyclohexylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one Traditional Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-cyclohexylpiperazino)methyl]-6-ethoxy-carbostyril Formula: C27H39N7O2 MolecularWeight: 493.64426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C27H39N7O2/c1-5-36-21-11-12-23-19(17-21)18-22(26(35)28-23)24(25-29-30-31-34(25)27(2,3)4)33-15-13-32(14-16-33)20-9-7-6-8-10-20/h11-12,17-18,20,24H,5-10,13-16H2,1-4H3,(H,28,35)