3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one

Systemtic Name: 3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one Openeye Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one CAS Name: 3-[(1-tert-butyl-5-tetrazolyl)-(4-methyl-1-piperazinyl)methyl]-6,8-dimethyl-1H-quinolin-2-one IUPAC Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one Traditional Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperazino)methyl]-6,8-dimethyl-carbostyril Formula: C22H31N7O MolecularWeight: 409.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C)C

InChI

InChI=1S/C22H31N7O/c1-14-11-15(2)18-16(12-14)13-17(21(30)23-18)19(28-9-7-27(6)8-10-28)20-24-25-26-29(20)22(3,4)5/h11-13,19H,7-10H2,1-6H3,(H,23,30)