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

Systemtic Name: 2-[4-[(2S)-butan-2-yl]phenyl]-N-[(1-phenethylpiperidin-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: 2-[4-[(1S)-1-methylpropyl]phenyl]-N-[(1-phenethyl-4-piperidylidene)amino]quinoline-4-carboxamide CAS Name: 2-[4-[(2S)-butan-2-yl]phenyl]-N-[(1-phenethyl-4-piperidinylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-[4-[(2S)-butan-2-yl]phenyl]-N-[(1-phenethylpiperidin-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: 2-[4-[(1S)-1-methylpropyl]phenyl]-N-[(1-phenethyl-4-piperidylidene)amino]cinchoninamide Formula: C33H36N4O MolecularWeight: 504.66514

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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)CCC5=CC=CC=C5

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CCN(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C33H36N4O/c1-3-24(2)26-13-15-27(16-14-26)32-23-30(29-11-7-8-12-31(29)34-32)33(38)36-35-28-18-21-37(22-19-28)20-17-25-9-5-4-6-10-25/h4-16,23-24H,3,17-22H2,1-2H3,(H,36,38)/t24-/m0/s1