2-[4-[(2S)-butan-2-yl]phenyl]-N-[(1-methylpiperidin-4-ylidene)amino]quinoline-4-carboxamide

Systemtic Name: 2-[4-[(2S)-butan-2-yl]phenyl]-N-[(1-methylpiperidin-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: N-[(1-methyl-4-piperidylidene)amino]-2-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carboxamide CAS Name: 2-[4-[(2S)-butan-2-yl]phenyl]-N-[(1-methyl-4-piperidinylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-[4-[(2S)-butan-2-yl]phenyl]-N-[(1-methylpiperidin-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: N-[(1-methyl-4-piperidylidene)amino]-2-[4-[(1S)-1-methylpropyl]phenyl]cinchoninamide Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CCN(CC4)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CCN(CC4)C

InChI

InChI=1S/C26H30N4O/c1-4-18(2)19-9-11-20(12-10-19)25-17-23(22-7-5-6-8-24(22)27-25)26(31)29-28-21-13-15-30(3)16-14-21/h5-12,17-18H,4,13-16H2,1-3H3,(H,29,31)/t18-/m0/s1