3-[azepan-1-yl-[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one

Systemtic Name: 3-[azepan-1-yl-[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one Openeye Name: 3-[azepan-1-yl-[1-(tetrahydrofuran-2-ylmethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one CAS Name: 3-[1-azepanyl-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-6-methoxy-1H-quinolin-2-one IUPAC Name: 3-[azepan-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one Traditional Name: 3-[azepan-1-yl-[1-(tetrahydrofurfuryl)tetrazol-5-yl]methyl]-6-methoxy-carbostyril Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CC4CCCO4)N5CCCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CC4CCCO4)N5CCCCCC5

InChI

InChI=1S/C23H30N6O3/c1-31-17-8-9-20-16(13-17)14-19(23(30)24-20)21(28-10-4-2-3-5-11-28)22-25-26-27-29(22)15-18-7-6-12-32-18/h8-9,13-14,18,21H,2-7,10-12,15H2,1H3,(H,24,30)