4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O2/c1-3-30-15-23(20(2)27-30)14-28-16-24(32-19-21-8-5-4-6-9-21)17-29(25(31)18-28)13-22-10-7-11-26-12-22/h4-12,15,24H,3,13-14,16-19H2,1-2H3