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

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-m-anisyloxy-1-phenethyl-1,4-diazepan-2-one Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C27H34N4O3/c1-21-24(15-29(2)28-21)16-30-17-26(34-20-23-10-7-11-25(14-23)33-3)18-31(27(32)19-30)13-12-22-8-5-4-6-9-22/h4-11,14-15,26H,12-13,16-20H2,1-3H3