(E)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-(4-p-anisyl-1,4-diazepan-1-yl)-3-(3-pyridyl)prop-2-en-1-one Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C=CC3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)/C=C/C3=CN=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-26-20-8-5-19(6-9-20)17-23-12-3-13-24(15-14-23)21(25)10-7-18-4-2-11-22-16-18/h2,4-11,16H,3,12-15,17H2,1H3/b10-7+