but-2-ynyl 4-[[4-(aminomethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: but-2-ynyl 4-[[4-(aminomethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate Openeye Name: but-2-ynyl 4-[[4-(aminomethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[4-(aminomethyl)phenyl]methylamino]-oxomethyl]-1-piperazinecarboxylic acid but-2-ynyl ester IUPAC Name: but-2-ynyl 4-[[4-(aminomethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(aminomethyl)benzyl]carbamoyl]piperazine-1-carboxylic acid but-2-ynyl ester Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(=O)N1CCN(CC1)C(=O)NCC2=CC=C(C=C2)CN

Isomeric SMILES

CC#CCOC(=O)N1CCN(CC1)C(=O)NCC2=CC=C(C=C2)CN

InChI

InChI=1S/C18H24N4O3/c1-2-3-12-25-18(24)22-10-8-21(9-11-22)17(23)20-14-16-6-4-15(13-19)5-7-16/h4-7H,8-14,19H2,1H3,(H,20,23)