tert-butyl 4-[cyano-(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[cyano-(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[cyano-(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[cyano-(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[cyano-(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[cyano-(2-keto-8-methyl-1H-quinolin-3-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)C(C#N)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)C(C#N)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26N4O3/c1-14-6-5-7-15-12-16(19(26)23-18(14)15)17(13-22)24-8-10-25(11-9-24)20(27)28-21(2,3)4/h5-7,12,17H,8-11H2,1-4H3,(H,23,26)