2-(4-methylphenoxy)-1-[4-[2-(4-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 2-(4-methylphenoxy)-1-[4-[2-(4-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 2-(4-methylphenoxy)-1-[4-[2-(4-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one CAS Name: 2-(4-methylphenoxy)-1-[4-[2-(4-methylphenoxy)-1-oxobutyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 2-(4-methylphenoxy)-1-[4-[2-(4-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one Traditional Name: 2-(4-methylphenoxy)-1-[4-[2-(4-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCN(CC1)C(=O)C(CC)OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)N1CCCN(CC1)C(=O)C(CC)OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C

InChI

InChI=1S/C27H36N2O4/c1-5-24(32-22-12-8-20(3)9-13-22)26(30)28-16-7-17-29(19-18-28)27(31)25(6-2)33-23-14-10-21(4)11-15-23/h8-15,24-25H,5-7,16-19H2,1-4H3