4-but-2-ynoyl-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 4-but-2-ynoyl-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-but-2-ynoyl-1-isobutyl-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-(1-oxobut-2-ynyl)-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 4-but-2-ynoyl-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-but-2-ynoyl-1-isobutyl-1,4-diazepan-2-one Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CC(CN(C(=O)C1)CC(C)C)OCC2=CC=CC=C2

Isomeric SMILES

CC#CC(=O)N1CC(CN(C(=O)C1)CC(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O3/c1-4-8-19(23)22-13-18(25-15-17-9-6-5-7-10-17)12-21(11-16(2)3)20(24)14-22/h5-7,9-10,16,18H,11-15H2,1-3H3