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

Systemtic Name: 3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one Openeye Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one CAS Name: 3-[(1-tert-butyl-5-tetrazolyl)-(4-methyl-1-piperazinyl)methyl]-8-methyl-1H-quinolin-2-one IUPAC Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one Traditional Name: 3-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperazino)methyl]-8-methyl-carbostyril Formula: C21H29N7O MolecularWeight: 395.50126

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O/c1-14-7-6-8-15-13-16(20(29)22-17(14)15)18(27-11-9-26(5)10-12-27)19-23-24-25-28(19)21(2,3)4/h6-8,13,18H,9-12H2,1-5H3,(H,22,29)