6-[(3-methoxyphenyl)methoxy]-4-(2-methylpyrazol-3-yl)carbonyl-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: 6-[(3-methoxyphenyl)methoxy]-4-(2-methylpyrazol-3-yl)carbonyl-1-phenethyl-1,4-diazepan-2-one Openeye Name: 6-[(3-methoxyphenyl)methoxy]-4-(2-methylpyrazole-3-carbonyl)-1-phenethyl-1,4-diazepan-2-one CAS Name: 6-[(3-methoxyphenyl)methoxy]-4-[(2-methyl-3-pyrazolyl)-oxomethyl]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 6-[(3-methoxyphenyl)methoxy]-4-(2-methylpyrazole-3-carbonyl)-1-phenethyl-1,4-diazepan-2-one Traditional Name: 6-m-anisyloxy-4-(2-methylpyrazole-3-carbonyl)-1-phenethyl-1,4-diazepan-2-one Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC

Isomeric SMILES

CN1C(=CC=N1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H30N4O4/c1-28-24(11-13-27-28)26(32)30-17-23(34-19-21-9-6-10-22(15-21)33-2)16-29(25(31)18-30)14-12-20-7-4-3-5-8-20/h3-11,13,15,23H,12,14,16-19H2,1-2H3