phenyl 4-[bis(azanyl)methylideneamino]-2-[4-(2-dimethylaminoethyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: phenyl 4-[bis(azanyl)methylideneamino]-2-[4-(2-dimethylaminoethyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: phenyl 2-[4-(2-dimethylaminoethyl)piperazine-1-carbonyl]-4-guanidino-benzoate CAS Name: 4-(diaminomethylideneamino)-2-[[4-(2-dimethylaminoethyl)-1-piperazinyl]-oxomethyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-(diaminomethylideneamino)-2-[4-(2-dimethylaminoethyl)piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-(2-dimethylaminoethyl)piperazine-1-carbonyl]-4-guanidino-benzoic acid phenyl ester Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CN(C)CCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H30N6O3/c1-27(2)10-11-28-12-14-29(15-13-28)21(30)20-16-17(26-23(24)25)8-9-19(20)22(31)32-18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H4,24,25,26)