(4-butoxyphenyl)-[4-(4-butoxyphenyl)carbonyl-1,4-diazepan-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)OCCCC

InChI

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