6-[(3-methoxyphenyl)methoxy]-4-[(1-phenylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-[(3-methoxyphenyl)methoxy]-4-[(1-phenylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-[(3-methoxyphenyl)methoxy]-4-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 6-[(3-methoxyphenyl)methoxy]-4-[(1-phenyl-4-pyrazolyl)methyl]-1-(2-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-[(3-methoxyphenyl)methoxy]-4-[(1-phenylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-m-anisyloxy-4-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridylmethyl)-1,4-diazepan-2-one Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CC3=CC=CC=N3)CC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CC3=CC=CC=N3)CC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O3/c1-36-27-12-7-8-23(14-27)22-37-28-19-32(16-24-15-31-34(17-24)26-10-3-2-4-11-26)21-29(35)33(20-28)18-25-9-5-6-13-30-25/h2-15,17,28H,16,18-22H2,1H3