(3-butoxyphenyl)-[4-(3-butoxyphenyl)carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-butoxyphenyl)-[4-(3-butoxyphenyl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(3-butoxybenzoyl)-1,4-diazepan-1-yl]-(3-butoxyphenyl)methanone CAS Name: (3-butoxyphenyl)-[4-[(3-butoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(3-butoxybenzoyl)-1,4-diazepan-1-yl]-(3-butoxyphenyl)methanone Traditional Name: [4-(3-butoxybenzoyl)-1,4-diazepan-1-yl]-(3-butoxyphenyl)methanone Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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