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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3OCCCC

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3OCCCC

InChI

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