4-(5-methoxy-2-oxidanyl-phenyl)-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one

Systemtic Name: 4-(5-methoxy-2-oxidanyl-phenyl)-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one Openeye Name: 4-(2-hydroxy-5-methoxy-phenyl)-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one CAS Name: 4-(2-hydroxy-5-methoxyphenyl)-1-(4-phenyl-1,4-diazepan-1-yl)-1-butanone IUPAC Name: 4-(2-hydroxy-5-methoxyphenyl)-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one Traditional Name: 4-(2-hydroxy-5-methoxy-phenyl)-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)CCCC(=O)N2CCCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)O)CCCC(=O)N2CCCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-27-20-11-12-21(25)18(17-20)7-5-10-22(26)24-14-6-13-23(15-16-24)19-8-3-2-4-9-19/h2-4,8-9,11-12,17,25H,5-7,10,13-16H2,1H3