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

Systemtic Name: phenyl 2-[4-(2-azanylethyl)piperazin-1-yl]carbonyl-4-[bis(azanyl)methylideneamino]benzoate Openeye Name: phenyl 2-[4-(2-aminoethyl)piperazine-1-carbonyl]-4-guanidino-benzoate CAS Name: 2-[[4-(2-aminoethyl)-1-piperazinyl]-oxomethyl]-4-(diaminomethylideneamino)benzoic acid phenyl ester IUPAC Name: phenyl 2-[4-(2-aminoethyl)piperazine-1-carbonyl]-4-(diaminomethylideneamino)benzoate Traditional Name: 2-[4-(2-aminoethyl)piperazine-1-carbonyl]-4-guanidino-benzoic acid phenyl ester Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN)C(=O)C2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCN)C(=O)C2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H26N6O3/c22-8-9-26-10-12-27(13-11-26)19(28)18-14-15(25-21(23)24)6-7-17(18)20(29)30-16-4-2-1-3-5-16/h1-7,14H,8-13,22H2,(H4,23,24,25)