ethyl 4-[4-(5-oxidanylidene-1-propan-2-yl-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(5-oxidanylidene-1-propan-2-yl-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(1-isopropyl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1-isopropyl-5-keto-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3C=NN(C3=O)C(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3C=NN(C3=O)C(C)C

InChI

InChI=1S/C18H25N5O3/c1-4-26-18(25)21-11-9-20(10-12-21)15-5-7-16(8-6-15)22-13-19-23(14(2)3)17(22)24/h5-8,13-14H,4,9-12H2,1-3H3