(3-butan-2-yloxyphenyl)-[4-(3-butan-2-yloxyphenyl)carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-butan-2-yloxyphenyl)-[4-(3-butan-2-yloxyphenyl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(3-sec-butoxybenzoyl)-1,4-diazepan-1-yl]-(3-sec-butoxyphenyl)methanone CAS Name: (3-butan-2-yloxyphenyl)-[4-[(3-butan-2-yloxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(3-butan-2-yloxybenzoyl)-1,4-diazepan-1-yl]-(3-butan-2-yloxyphenyl)methanone Traditional Name: [4-(3-sec-butoxybenzoyl)-1,4-diazepan-1-yl]-(3-sec-butoxyphenyl)methanone Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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