N-[(1S)-1-(5-isoquinolin-3-yl-1H-imidazol-2-yl)-7-oxidanylidene-nonyl]-1-methyl-piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(5-isoquinolin-3-yl-1H-imidazol-2-yl)-7-oxidanylidene-nonyl]-1-methyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-[5-(3-isoquinolyl)-1H-imidazol-2-yl]-7-oxo-nonyl]-1-methyl-piperidine-4-carboxamide CAS Name: N-[(1S)-1-[5-(3-isoquinolinyl)-1H-imidazol-2-yl]-7-oxononyl]-1-methyl-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(5-isoquinolin-3-yl-1H-imidazol-2-yl)-7-oxononyl]-1-methylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-[5-(3-isoquinolyl)-1H-imidazol-2-yl]-7-keto-nonyl]-1-methyl-isonipecotamide Formula: C28H37N5O2 MolecularWeight: 475.62568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCCCCC(C1=NC=C(N1)C2=CC3=CC=CC=C3C=N2)NC(=O)C4CCN(CC4)C

Isomeric SMILES

CCC(=O)CCCCC[C@@H](C1=NC=C(N1)C2=CC3=CC=CC=C3C=N2)NC(=O)C4CCN(CC4)C

InChI

InChI=1S/C28H37N5O2/c1-3-23(34)11-5-4-6-12-24(32-28(35)20-13-15-33(2)16-14-20)27-30-19-26(31-27)25-17-21-9-7-8-10-22(21)18-29-25/h7-10,17-20,24H,3-6,11-16H2,1-2H3,(H,30,31)(H,32,35)/t24-/m0/s1