[3,5-dimethoxy-4-(4-propan-2-ylpiperazin-1-yl)carbonyl-phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [3,5-dimethoxy-4-(4-propan-2-ylpiperazin-1-yl)carbonyl-phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(4-isopropylpiperazine-1-carbonyl)-3,5-dimethoxy-phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [3,5-dimethoxy-4-[oxo-(4-propan-2-yl-1-piperazinyl)methyl]phenyl] ester IUPAC Name: [3,5-dimethoxy-4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(4-isopropylpiperazine-1-carbonyl)-3,5-dimethoxy-phenyl] ester Formula: C24H31N5O5 MolecularWeight: 469.53344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C2=C(C=C(C=C2OC)OC(=O)C3=CC=C(C=C3)N=C(N)N)OC

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)C2=C(C=C(C=C2OC)OC(=O)C3=CC=C(C=C3)N=C(N)N)OC

InChI

InChI=1S/C24H31N5O5/c1-15(2)28-9-11-29(12-10-28)22(30)21-19(32-3)13-18(14-20(21)33-4)34-23(31)16-5-7-17(8-6-16)27-24(25)26/h5-8,13-15H,9-12H2,1-4H3,(H4,25,26,27)