N-cyano-N'-ethyl-4-[(isoquinolin-1-ylamino)methyl]-4-phenyl-piperidine-1-carboximidamide

Systemtic Name: N-cyano-N'-ethyl-4-[(isoquinolin-1-ylamino)methyl]-4-phenyl-piperidine-1-carboximidamide Openeye Name: N-cyano-N'-ethyl-4-[(1-isoquinolylamino)methyl]-4-phenyl-piperidine-1-carboxamidine CAS Name: N-cyano-N'-ethyl-4-[(1-isoquinolinylamino)methyl]-4-phenyl-1-piperidinecarboximidamide IUPAC Name: N-cyano-N'-ethyl-4-[(isoquinolin-1-ylamino)methyl]-4-phenylpiperidine-1-carboximidamide Traditional Name: N-cyano-N'-ethyl-4-[(1-isoquinolylamino)methyl]-4-phenyl-piperidine-1-carboxamidine Formula: C25H28N6 MolecularWeight: 412.53002

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NC#N)N1CCC(CC1)(CNC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCN=C(NC#N)N1CCC(CC1)(CNC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H28N6/c1-2-27-24(30-19-26)31-16-13-25(14-17-31,21-9-4-3-5-10-21)18-29-23-22-11-7-6-8-20(22)12-15-28-23/h3-12,15H,2,13-14,16-18H2,1H3,(H,27,30)(H,28,29)