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

Systemtic Name: [4-(4-propan-2-ylpiperazin-1-yl)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(4-isopropylpiperazine-1-carbonyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[oxo-(4-propan-2-yl-1-piperazinyl)methyl]phenyl] ester IUPAC Name: [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(4-isopropylpiperazine-1-carbonyl)phenyl] ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c1-15(2)26-11-13-27(14-12-26)20(28)16-5-9-19(10-6-16)30-21(29)17-3-7-18(8-4-17)25-22(23)24/h3-10,15H,11-14H2,1-2H3,(H4,23,24,25)