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

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-2-[(4-pent-4-enoyl-1,4-diazepan-1-yl)methyl]pyran-4-one Openeye Name: 5-[(4-tert-butylphenyl)methoxy]-2-[(4-pent-4-enoyl-1,4-diazepan-1-yl)methyl]pyran-4-one CAS Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(1-oxopent-4-enyl)-1,4-diazepan-1-yl]methyl]-4-pyranone IUPAC Name: 5-[(4-tert-butylphenyl)methoxy]-2-[(4-pent-4-enoyl-1,4-diazepan-1-yl)methyl]pyran-4-one Traditional Name: 5-(4-tert-butylbenzyl)oxy-2-[(4-pent-4-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(C)(C)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CCCN(CC3)C(=O)CCC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CCCN(CC3)C(=O)CCC=C

InChI

InChI=1S/C27H36N2O4/c1-5-6-8-26(31)29-14-7-13-28(15-16-29)18-23-17-24(30)25(20-32-23)33-19-21-9-11-22(12-10-21)27(2,3)4/h5,9-12,17,20H,1,6-8,13-16,18-19H2,2-4H3