5-[(4-tert-butylphenyl)methoxy]-2-[[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(3-methyl-1-oxobut-2-enyl)-1,4-diazepan-1-yl]methyl]-4-pyranone IUPAC Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-tert-butylbenzyl)oxy-2-[[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]methyl]pyran-4-one Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC(=CC(=O)N1CCCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)C(C)(C)C)C

InChI

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