4-(4-phenylbutanoyl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-(4-phenylbutanoyl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(4-phenylbutanoyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-(1-oxo-4-phenylbutyl)-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-(4-phenylbutanoyl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(4-phenylbutanoyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)CCCC2=CC=CC=C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)CCCC2=CC=CC=C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3/c32-27(15-7-13-23-9-3-1-4-10-23)31-20-26(34-22-24-11-5-2-6-12-24)19-30(28(33)21-31)18-25-14-8-16-29-17-25/h1-6,8-12,14,16-17,26H,7,13,15,18-22H2