4-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methylcarbamoyl]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methylcarbamoyl]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methylcarbamoyl]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-[[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methylamino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methylcarbamoyl]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[[4-(2-imidazolin-2-ylamino)benzyl]carbamoyl]phenyl]piperazine-1-carboxylic acid Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4CCN(CC4)C(=O)O

Isomeric SMILES

C1CN=C(N1)NC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4CCN(CC4)C(=O)O

InChI

InChI=1S/C22H26N6O3/c29-20(25-15-16-1-5-18(6-2-16)26-21-23-9-10-24-21)17-3-7-19(8-4-17)27-11-13-28(14-12-27)22(30)31/h1-8H,9-15H2,(H,25,29)(H,30,31)(H2,23,24,26)