2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1,4-diazepan-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)-oxomethyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1,4-diazepan-1-yl]-N-isopropyl-acetamide Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N6O2/c1-19(2)26-22(32)18-29-14-9-15-30(17-16-29)25(33)23-27-24(20-10-5-3-6-11-20)31(28-23)21-12-7-4-8-13-21/h3-8,10-13,19H,9,14-18H2,1-2H3,(H,26,32)