tert-butyl 4-[[4-[bis(azanyl)methylideneamino]phenyl]methylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[bis(azanyl)methylideneamino]phenyl]methylcarbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-guanidinophenyl)methylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[4-(diaminomethylideneamino)phenyl]methylamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(diaminomethylideneamino)phenyl]methylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(4-guanidinobenzyl)carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H28N6O3 MolecularWeight: 376.45332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NCC2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NCC2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C18H28N6O3/c1-18(2,3)27-17(26)24-10-8-23(9-11-24)16(25)21-12-13-4-6-14(7-5-13)22-15(19)20/h4-7H,8-12H2,1-3H3,(H,21,25)(H4,19,20,22)