4-(isoquinolin-1-ylcarbamoylamino)-4-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 4-(isoquinolin-1-ylcarbamoylamino)-4-phenyl-piperidine-1-carboxylic acid Openeye Name: 4-(1-isoquinolylcarbamoylamino)-4-phenyl-piperidine-1-carboxylic acid CAS Name: 4-[[(1-isoquinolinylamino)-oxomethyl]amino]-4-phenyl-1-piperidinecarboxylic acid IUPAC Name: 4-(isoquinolin-1-ylcarbamoylamino)-4-phenylpiperidine-1-carboxylic acid Traditional Name: 4-(1-isoquinolylcarbamoylamino)-4-phenyl-piperidine-1-carboxylic acid Formula: C22H22N4O3 MolecularWeight: 390.43508

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c27-20(24-19-18-9-5-4-6-16(18)10-13-23-19)25-22(17-7-2-1-3-8-17)11-14-26(15-12-22)21(28)29/h1-10,13H,11-12,14-15H2,(H,28,29)(H2,23,24,25,27)