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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(CCC(=O)N2CCCNCC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(CCC(=O)N2CCCNCC2)C3=CC=CC=C3

InChI

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