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

Systemtic Name: [4-(4-hexylpiperazin-1-yl)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(4-hexylpiperazine-1-carbonyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(4-hexyl-1-piperazinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-hexylpiperazine-1-carbonyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(4-hexylpiperazine-1-carbonyl)phenyl] ester Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

CCCCCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C25H33N5O3/c1-2-3-4-5-14-29-15-17-30(18-16-29)23(31)19-8-12-22(13-9-19)33-24(32)20-6-10-21(11-7-20)28-25(26)27/h6-13H,2-5,14-18H2,1H3,(H4,26,27,28)