3-[azepan-1-yl-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one

Systemtic Name: 3-[azepan-1-yl-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one Openeye Name: 3-[azepan-1-yl-(1-benzyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one CAS Name: 3-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]-6-ethyl-1H-quinolin-2-one IUPAC Name: 3-[azepan-1-yl-(1-benzyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one Traditional Name: 3-[azepan-1-yl-(1-benzyltetrazol-5-yl)methyl]-6-ethyl-carbostyril Formula: C26H30N6O MolecularWeight: 442.556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CC4=CC=CC=C4)N5CCCCCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CC4=CC=CC=C4)N5CCCCCC5

InChI

InChI=1S/C26H30N6O/c1-2-19-12-13-23-21(16-19)17-22(26(33)27-23)24(31-14-8-3-4-9-15-31)25-28-29-30-32(25)18-20-10-6-5-7-11-20/h5-7,10-13,16-17,24H,2-4,8-9,14-15,18H2,1H3,(H,27,33)