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

Systemtic Name: phenyl 4-[bis(azanyl)methylideneamino]-2-[4-(cyclohexylmethyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: phenyl 2-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-4-guanidino-benzoate CAS Name: 2-[[4-(cyclohexylmethyl)-1-piperazinyl]-oxomethyl]-4-(diaminomethylideneamino)benzoic acid phenyl ester IUPAC Name: phenyl 2-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-4-(diaminomethylideneamino)benzoate Traditional Name: 2-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-4-guanidino-benzoic acid phenyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)N=C(N)N)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)N=C(N)N)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O3/c27-26(28)29-20-11-12-22(25(33)34-21-9-5-2-6-10-21)23(17-20)24(32)31-15-13-30(14-16-31)18-19-7-3-1-4-8-19/h2,5-6,9-12,17,19H,1,3-4,7-8,13-16,18H2,(H4,27,28,29)