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

Systemtic Name: 3-[(4-carbamimidoylpiperazin-1-yl)methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-[(4-carbamimidoylpiperazin-1-yl)methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-[(4-carbamimidoyl-1-piperazinyl)methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-[(4-carbamimidoylpiperazin-1-yl)methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-[(4-amidinopiperazino)methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-cinchoninamide Formula: C30H38N6O MolecularWeight: 498.66232

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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(CC5)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C30H38N6O/c1-21(22-10-4-2-5-11-22)33-29(37)27-24-14-8-9-15-26(24)34-28(23-12-6-3-7-13-23)25(27)20-35-16-18-36(19-17-35)30(31)32/h3,6-9,12-15,21-22H,2,4-5,10-11,16-20H2,1H3,(H3,31,32)(H,33,37)/t21-/m0/s1