6-[(3-methoxyphenyl)methoxy]-1-phenethyl-4-(1H-pyrazol-4-ylcarbonyl)-1,4-diazepan-2-one

Systemtic Name: 6-[(3-methoxyphenyl)methoxy]-1-phenethyl-4-(1H-pyrazol-4-ylcarbonyl)-1,4-diazepan-2-one Openeye Name: 6-[(3-methoxyphenyl)methoxy]-1-phenethyl-4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-2-one CAS Name: 6-[(3-methoxyphenyl)methoxy]-4-[oxo(1H-pyrazol-4-yl)methyl]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 6-[(3-methoxyphenyl)methoxy]-1-phenethyl-4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-2-one Traditional Name: 6-m-anisyloxy-1-phenethyl-4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-2-one Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC3=CC=CC=C3)C(=O)C4=CNN=C4

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC3=CC=CC=C3)C(=O)C4=CNN=C4

InChI

InChI=1S/C25H28N4O4/c1-32-22-9-5-8-20(12-22)18-33-23-15-28(11-10-19-6-3-2-4-7-19)24(30)17-29(16-23)25(31)21-13-26-27-14-21/h2-9,12-14,23H,10-11,15-18H2,1H3,(H,26,27)