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

Systemtic Name: 2-(2-methylphenoxy)-1-[4-[2-(2-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 2-(2-methylphenoxy)-1-[4-[2-(2-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one CAS Name: 2-(2-methylphenoxy)-1-[4-[2-(2-methylphenoxy)-1-oxobutyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 2-(2-methylphenoxy)-1-[4-[2-(2-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one Traditional Name: 2-(2-methylphenoxy)-1-[4-[2-(2-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=CC=C2C)OC3=CC=CC=C3C

Isomeric SMILES

CCC(C(=O)N1CCCN(CC1)C(=O)C(CC)OC2=CC=CC=C2C)OC3=CC=CC=C3C

InChI

InChI=1S/C27H36N2O4/c1-5-22(32-24-14-9-7-12-20(24)3)26(30)28-16-11-17-29(19-18-28)27(31)23(6-2)33-25-15-10-8-13-21(25)4/h7-10,12-15,22-23H,5-6,11,16-19H2,1-4H3