(4-butan-2-yloxyphenyl)-[4-(4-butan-2-yloxyphenyl)carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-butan-2-yloxyphenyl)-[4-(4-butan-2-yloxyphenyl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(4-sec-butoxybenzoyl)-1,4-diazepan-1-yl]-(4-sec-butoxyphenyl)methanone CAS Name: (4-butan-2-yloxyphenyl)-[4-[(4-butan-2-yloxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(4-butan-2-yloxybenzoyl)-1,4-diazepan-1-yl]-(4-butan-2-yloxyphenyl)methanone Traditional Name: [4-(4-sec-butoxybenzoyl)-1,4-diazepan-1-yl]-(4-sec-butoxyphenyl)methanone Formula: C27H36N2O4 MolecularWeight: 452.58574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)OC(C)CC

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)OC(C)CC

InChI

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