1-(2-methylpropyl)-4-[3-(1-methylpyrazol-4-yl)propanoyl]-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 1-(2-methylpropyl)-4-[3-(1-methylpyrazol-4-yl)propanoyl]-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-isobutyl-4-[3-(1-methylpyrazol-4-yl)propanoyl]-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-[3-(1-methyl-4-pyrazolyl)-1-oxopropyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-[3-(1-methylpyrazol-4-yl)propanoyl]-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-isobutyl-4-[3-(1-methylpyrazol-4-yl)propanoyl]-1,4-diazepan-2-one Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)CCC2=CN(N=C2)C)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)CCC2=CN(N=C2)C)OCC3=CC=CC=C3

InChI

InChI=1S/C23H32N4O3/c1-18(2)12-26-14-21(30-17-19-7-5-4-6-8-19)15-27(16-23(26)29)22(28)10-9-20-11-24-25(3)13-20/h4-8,11,13,18,21H,9-10,12,14-17H2,1-3H3