1-(2-methylpropyl)-6-phenylmethoxy-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 1-(2-methylpropyl)-6-phenylmethoxy-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-isobutyl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-6-phenylmethoxy-4-(5-quinoxalinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-6-phenylmethoxy-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-isobutyl-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)CC2=C3C(=CC=C2)N=CC=N3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)CC2=C3C(=CC=C2)N=CC=N3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-19(2)13-29-16-22(31-18-20-7-4-3-5-8-20)15-28(17-24(29)30)14-21-9-6-10-23-25(21)27-12-11-26-23/h3-12,19,22H,13-18H2,1-2H3