2-[4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile Openeye Name: 2-[4-[(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile CAS Name: 2-[4-[(1-tert-butyl-5-tetrazolyl)methyl]-1-piperazinyl]-7-methoxy-3-quinolinecarbonitrile IUPAC Name: 2-[4-[(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-7-methoxyquinoline-3-carbonitrile Traditional Name: 2-[4-[(1-tert-butyltetrazol-5-yl)methyl]piperazino]-7-methoxy-quinoline-3-carbonitrile Formula: C21H26N8O MolecularWeight: 406.48414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)CN2CCN(CC2)C3=NC4=C(C=CC(=C4)OC)C=C3C#N

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)CN2CCN(CC2)C3=NC4=C(C=CC(=C4)OC)C=C3C#N

InChI

InChI=1S/C21H26N8O/c1-21(2,3)29-19(24-25-26-29)14-27-7-9-28(10-8-27)20-16(13-22)11-15-5-6-17(30-4)12-18(15)23-20/h5-6,11-12H,7-10,14H2,1-4H3