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

Systemtic Name: 3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-piperazin-1-yl-methyl]-8-methyl-1H-quinolin-2-one Openeye Name: 3-[(1-tert-butyltetrazol-5-yl)-piperazin-1-yl-methyl]-8-methyl-1H-quinolin-2-one CAS Name: 3-[(1-tert-butyl-5-tetrazolyl)-(1-piperazinyl)methyl]-8-methyl-1H-quinolin-2-one IUPAC Name: 3-[(1-tert-butyltetrazol-5-yl)-piperazin-1-ylmethyl]-8-methyl-1H-quinolin-2-one Traditional Name: 3-[(1-tert-butyltetrazol-5-yl)-piperazino-methyl]-8-methyl-carbostyril Formula: C20H27N7O MolecularWeight: 381.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCNCC4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCNCC4

InChI

InChI=1S/C20H27N7O/c1-13-6-5-7-14-12-15(19(28)22-16(13)14)17(26-10-8-21-9-11-26)18-23-24-25-27(18)20(2,3)4/h5-7,12,17,21H,8-11H2,1-4H3,(H,22,28)