2-[4-[4-(1-butan-2-yl-5-oxidanylidene-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-2-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[4-(1-butan-2-yl-5-oxidanylidene-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-2-phenyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-[4-(5-oxo-1-sec-butyl-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-2-phenyl-acetamide CAS Name: 2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-piperazinyl]-2-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-[4-(5-keto-1-sec-butyl-1,2,4-triazol-4-yl)phenyl]piperazino]-2-phenyl-acetamide Formula: C27H36N6O2 MolecularWeight: 476.61374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C(=O)NC(C)C

Isomeric SMILES

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C(=O)NC(C)C

InChI

InChI=1S/C27H36N6O2/c1-5-21(4)33-27(35)32(19-28-33)24-13-11-23(12-14-24)30-15-17-31(18-16-30)25(26(34)29-20(2)3)22-9-7-6-8-10-22/h6-14,19-21,25H,5,15-18H2,1-4H3,(H,29,34)