[4-(4-methylpiperazin-1-yl)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(4-methylpiperazin-1-yl)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(4-methylpiperazine-1-carbonyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-methylpiperazine-1-carbonyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(4-methylpiperazine-1-carbonyl)phenyl] ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C20H23N5O3/c1-24-10-12-25(13-11-24)18(26)14-4-8-17(9-5-14)28-19(27)15-2-6-16(7-3-15)23-20(21)22/h2-9H,10-13H2,1H3,(H4,21,22,23)