3-[azepan-1-yl-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)methyl]-6-methyl-chromen-4-one

Systemtic Name: 3-[azepan-1-yl-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)methyl]-6-methyl-chromen-4-one Openeye Name: 3-[azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-chromen-4-one CAS Name: 3-[1-azepanyl-(1-cyclopentyl-5-tetrazolyl)methyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 3-[azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methylchromen-4-one Traditional Name: 3-[azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-chromone Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C(C3=NN=NN3C4CCCC4)N5CCCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C(C3=NN=NN3C4CCCC4)N5CCCCCC5

InChI

InChI=1S/C23H29N5O2/c1-16-10-11-20-18(14-16)22(29)19(15-30-20)21(27-12-6-2-3-7-13-27)23-24-25-26-28(23)17-8-4-5-9-17/h10-11,14-15,17,21H,2-9,12-13H2,1H3