1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-[1-(phenylmethyl)pyrrolidin-3-yl]-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-[1-(phenylmethyl)pyrrolidin-3-yl]-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(1-benzylpyrrolidin-3-yl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-6-phenylmethoxy-4-[1-(phenylmethyl)-3-pyrrolidinyl]-1,4-diazepan-2-one IUPAC Name: 4-(1-benzylpyrrolidin-3-yl)-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(1-benzylpyrrolidin-3-yl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC1N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H39N3O3/c33-29-22-31(27-11-14-30(19-27)17-24-7-3-1-4-8-24)20-28(35-23-26-9-5-2-6-10-26)21-32(29)18-25-12-15-34-16-13-25/h1-10,25,27-28H,11-23H2