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

Systemtic Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(quinoxalin-5-ylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-6-phenylmethoxy-4-(5-quinoxalinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(quinoxalin-5-ylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)N=CC=N4)OCC5=CC=CC=C5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)N=CC=N4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H32N4O3/c32-26-19-30(16-23-7-4-8-25-27(23)29-12-11-28-25)17-24(34-20-22-5-2-1-3-6-22)18-31(26)15-21-9-13-33-14-10-21/h1-8,11-12,21,24H,9-10,13-20H2