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

Systemtic Name: 3-[[4-(2-azanylethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-[[4-(2-aminoethyl)-3-oxo-piperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-[[4-(2-aminoethyl)-3-oxo-1-piperazinyl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-[[4-(2-aminoethyl)-3-oxopiperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-[[4-(2-aminoethyl)-3-keto-piperazino]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-cinchoninamide Formula: C31H39N5O2 MolecularWeight: 513.67366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(C(=O)C5)CCN

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(C(=O)C5)CCN

InChI

InChI=1S/C31H39N5O2/c1-22(23-10-4-2-5-11-23)33-31(38)29-25-14-8-9-15-27(25)34-30(24-12-6-3-7-13-24)26(29)20-35-18-19-36(17-16-32)28(37)21-35/h3,6-9,12-15,22-23H,2,4-5,10-11,16-21,32H2,1H3,(H,33,38)/t22-/m0/s1