N-[[3-[[(2-chlorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[[3-[[(2-chlorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide Openeye Name: N-[[3-[[(2-chlorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide CAS Name: N-[[3-[[[[(2-chlorophenyl)methylamino]-oxomethyl]amino]methyl]phenyl]methyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[[3-[[(2-chlorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide Traditional Name: N-[3-[[(2-chlorobenzyl)carbamoylamino]methyl]benzyl]pyrrolidine-1-carboxamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NCC2=CC(=CC=C2)CNC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1CCN(C1)C(=O)NCC2=CC(=CC=C2)CNC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN4O2/c22-19-9-2-1-8-18(19)15-24-20(27)23-13-16-6-5-7-17(12-16)14-25-21(28)26-10-3-4-11-26/h1-2,5-9,12H,3-4,10-11,13-15H2,(H,25,28)(H2,23,24,27)