3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-methyl-chromen-4-one

Systemtic Name: 3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-methyl-chromen-4-one Openeye Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-methyl-chromen-4-one CAS Name: 3-[(1-tert-butyl-5-tetrazolyl)-(4-methyl-1-piperazinyl)methyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-methylchromen-4-one Traditional Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperazino)methyl]-6-methyl-chromone Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C

InChI

InChI=1S/C21H28N6O2/c1-14-6-7-17-15(12-14)19(28)16(13-29-17)18(26-10-8-25(5)9-11-26)20-22-23-24-27(20)21(2,3)4/h6-7,12-13,18H,8-11H2,1-5H3