(phenylmethyl) 4-(isoquinolin-1-ylcarbamoylamino)-4-phenyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(isoquinolin-1-ylcarbamoylamino)-4-phenyl-piperidine-1-carboxylate Openeye Name: benzyl 4-(1-isoquinolylcarbamoylamino)-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[[(1-isoquinolinylamino)-oxomethyl]amino]-4-phenyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(isoquinolin-1-ylcarbamoylamino)-4-phenylpiperidine-1-carboxylate Traditional Name: 4-(1-isoquinolylcarbamoylamino)-4-phenyl-piperidine-1-carboxylic acid benzyl ester Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)NC(=O)NC3=NC=CC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)NC(=O)NC3=NC=CC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3/c34-27(31-26-25-14-8-7-11-23(25)15-18-30-26)32-29(24-12-5-2-6-13-24)16-19-33(20-17-29)28(35)36-21-22-9-3-1-4-10-22/h1-15,18H,16-17,19-21H2,(H2,30,31,32,34)