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

Systemtic Name: 3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one Openeye Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one CAS Name: 3-[(1-tert-butyl-5-tetrazolyl)-(4-phenyl-1-piperazinyl)methyl]-6-methyl-1H-quinolin-2-one IUPAC Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one Traditional Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-phenylpiperazino)methyl]-6-methyl-carbostyril Formula: C26H31N7O MolecularWeight: 457.57064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N7O/c1-18-10-11-22-19(16-18)17-21(25(34)27-22)23(24-28-29-30-33(24)26(2,3)4)32-14-12-31(13-15-32)20-8-6-5-7-9-20/h5-11,16-17,23H,12-15H2,1-4H3,(H,27,34)