4-(2,5-dimethylpyrazol-3-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: 4-(2,5-dimethylpyrazol-3-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Openeye Name: 4-(2,5-dimethylpyrazole-3-carbonyl)-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one CAS Name: 4-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 4-(2,5-dimethylpyrazole-3-carbonyl)-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 4-(2,5-dimethylpyrazole-3-carbonyl)-6-m-anisyloxy-1-phenethyl-1,4-diazepan-2-one Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C27H32N4O4/c1-20-14-25(29(2)28-20)27(33)31-17-24(35-19-22-10-7-11-23(15-22)34-3)16-30(26(32)18-31)13-12-21-8-5-4-6-9-21/h4-11,14-15,24H,12-13,16-19H2,1-3H3