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

Systemtic Name: [4-(4-butan-2-ylpiperazin-1-yl)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(4-sec-butylpiperazine-1-carbonyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(4-butan-2-yl-1-piperazinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-butan-2-ylpiperazine-1-carbonyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(4-sec-butylpiperazine-1-carbonyl)phenyl] ester Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O3/c1-3-16(2)27-12-14-28(15-13-27)21(29)17-6-10-20(11-7-17)31-22(30)18-4-8-19(9-5-18)26-23(24)25/h4-11,16H,3,12-15H2,1-2H3,(H4,24,25,26)