5-[(3-methoxyphenyl)methoxy]-2-[[4-(4-octylphenyl)carbonyl-1,4-diazepan-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(3-methoxyphenyl)methoxy]-2-[[4-(4-octylphenyl)carbonyl-1,4-diazepan-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3-methoxyphenyl)methoxy]-2-[[4-(4-octylbenzoyl)-1,4-diazepan-1-yl]methyl]pyran-4-one CAS Name: 5-[(3-methoxyphenyl)methoxy]-2-[[4-[(4-octylphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-4-pyranone IUPAC Name: 5-[(3-methoxyphenyl)methoxy]-2-[[4-(4-octylbenzoyl)-1,4-diazepan-1-yl]methyl]pyran-4-one Traditional Name: 5-m-anisyloxy-2-[[4-(4-octylbenzoyl)-1,4-diazepan-1-yl]methyl]pyran-4-one Formula: C34H44N2O5 MolecularWeight: 560.72356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)OC

InChI

InChI=1S/C34H44N2O5/c1-3-4-5-6-7-8-11-27-14-16-29(17-15-27)34(38)36-19-10-18-35(20-21-36)24-31-23-32(37)33(26-40-31)41-25-28-12-9-13-30(22-28)39-2/h9,12-17,22-23,26H,3-8,10-11,18-21,24-25H2,1-2H3