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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)C

InChI

InChI=1S/C22H31N7O/c1-6-15-7-8-18-16(13-15)14-17(21(30)23-18)19(28-11-9-27(5)10-12-28)20-24-25-26-29(20)22(2,3)4/h7-8,13-14,19H,6,9-12H2,1-5H3,(H,23,30)