N-[(1S)-2-methyl-1-phenyl-propyl]-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-2-methyl-1-phenyl-propyl]-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-2-methyl-1-phenyl-propyl]-3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-2-methyl-1-phenylpropyl]-3-[(3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-2-methyl-1-phenylpropyl]-3-[(3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-[(3-ketopiperazino)methyl]-N-[(1S)-2-methyl-1-phenyl-propyl]-2-phenyl-cinchoninamide Formula: C31H32N4O2 MolecularWeight: 492.61138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCNC(=O)C5

Isomeric SMILES

CC(C)[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCNC(=O)C5

InChI

InChI=1S/C31H32N4O2/c1-21(2)29(22-11-5-3-6-12-22)34-31(37)28-24-15-9-10-16-26(24)33-30(23-13-7-4-8-14-23)25(28)19-35-18-17-32-27(36)20-35/h3-16,21,29H,17-20H2,1-2H3,(H,32,36)(H,34,37)/t29-/m0/s1