phenyl N-cyano-4-[(isoquinolin-1-ylamino)methyl]-4-phenyl-piperidine-1-carboximidate

Systemtic Name: phenyl N-cyano-4-[(isoquinolin-1-ylamino)methyl]-4-phenyl-piperidine-1-carboximidate Openeye Name: phenyl N-cyano-4-[(1-isoquinolylamino)methyl]-4-phenyl-piperidine-1-carboximidate CAS Name: N-cyano-4-[(1-isoquinolinylamino)methyl]-4-phenyl-1-piperidinecarboximidic acid phenyl ester IUPAC Name: phenyl N-cyano-4-[(isoquinolin-1-ylamino)methyl]-4-phenylpiperidine-1-carboximidate Traditional Name: N-cyano-4-[(1-isoquinolylamino)methyl]-4-phenyl-piperidine-1-carboximidic acid phenyl ester Formula: C29H27N5O MolecularWeight: 461.55758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4)C(=NC#N)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(CNC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4)C(=NC#N)OC5=CC=CC=C5

InChI

InChI=1S/C29H27N5O/c30-22-33-28(35-25-12-5-2-6-13-25)34-19-16-29(17-20-34,24-10-3-1-4-11-24)21-32-27-26-14-8-7-9-23(26)15-18-31-27/h1-15,18H,16-17,19-21H2,(H,31,32)