4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-isobutyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-2-one CAS Name: 4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-isobutyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-2-one Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CN1)CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2/c1-16(2)9-25-11-19(27-14-18-7-5-4-6-8-18)10-24(13-21(25)26)12-20-17(3)22-15-23-20/h4-8,15-16,19H,9-14H2,1-3H3,(H,22,23)