N-[6-[4-[(3-methoxy-4-oxidanyl-phenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[6-[4-[(3-methoxy-4-oxidanyl-phenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-[4-[(4-hydroxy-3-methoxy-phenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-2,2-dimethyl-propanamide CAS Name: N-[6-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide IUPAC Name: N-[6-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2,2-dimethylpropanamide Traditional Name: 2,2-dimethyl-N-[6-(4-vanillyl-1,4-diazepan-1-yl)-3-pyridyl]propionamide Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC(=C(C=C3)O)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C23H32N4O3/c1-23(2,3)22(29)25-18-7-9-21(24-15-18)27-11-5-10-26(12-13-27)16-17-6-8-19(28)20(14-17)30-4/h6-9,14-15,28H,5,10-13,16H2,1-4H3,(H,25,29)