N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-isobutyrylpiperazino)methyl]-2-phenyl-cinchoninamide Formula: C33H42N4O2 MolecularWeight: 526.71218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NC(C)C5CCCCC5

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=O)C(C)C

InChI

InChI=1S/C33H42N4O2/c1-23(2)33(39)37-20-18-36(19-21-37)22-28-30(32(38)34-24(3)25-12-6-4-7-13-25)27-16-10-11-17-29(27)35-31(28)26-14-8-5-9-15-26/h5,8-11,14-17,23-25H,4,6-7,12-13,18-22H2,1-3H3,(H,34,38)/t24-/m0/s1