tert-butyl 4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(1-tert-butyltetrazol-5-yl)-(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(1-tert-butyl-5-tetrazolyl)-(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-tert-butyltetrazol-5-yl)-(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(1-tert-butyltetrazol-5-yl)-(2-keto-8-methyl-1H-quinolin-3-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H35N7O3 MolecularWeight: 481.5905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H35N7O3/c1-16-9-8-10-17-15-18(22(33)26-19(16)17)20(21-27-28-29-32(21)24(2,3)4)30-11-13-31(14-12-30)23(34)35-25(5,6)7/h8-10,15,20H,11-14H2,1-7H3,(H,26,33)