[4-(4-pentan-2-ylpiperazin-1-yl)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(4-pentan-2-ylpiperazin-1-yl)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-[4-(1-methylbutyl)piperazine-1-carbonyl]phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[oxo-(4-pentan-2-yl-1-piperazinyl)methyl]phenyl] ester IUPAC Name: [4-(4-pentan-2-ylpiperazine-1-carbonyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-[4-(1-methylbutyl)piperazine-1-carbonyl]phenyl] ester Formula: C24H31N5O3 MolecularWeight: 437.53464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

CCCC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C24H31N5O3/c1-3-4-17(2)28-13-15-29(16-14-28)22(30)18-7-11-21(12-8-18)32-23(31)19-5-9-20(10-6-19)27-24(25)26/h5-12,17H,3-4,13-16H2,1-2H3,(H4,25,26,27)