6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(3-pyrazin-2-ylpropanoyl)-1,4-diazepan-2-one

Systemtic Name: 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(3-pyrazin-2-ylpropanoyl)-1,4-diazepan-2-one Openeye Name: 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(3-pyrazin-2-ylpropanoyl)-1,4-diazepan-2-one CAS Name: 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-[1-oxo-3-(2-pyrazinyl)propyl]-1,4-diazepan-2-one IUPAC Name: 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(3-pyrazin-2-ylpropanoyl)-1,4-diazepan-2-one Traditional Name: 6-methoxy-1-p-anisyl-4-(3-pyrazin-2-ylpropanoyl)-1,4-diazepan-2-one Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CC2=CC=C(C=C2)OC)C(=O)CCC3=NC=CN=C3

Isomeric SMILES

COC1CN(CC(=O)N(C1)CC2=CC=C(C=C2)OC)C(=O)CCC3=NC=CN=C3

InChI

InChI=1S/C21H26N4O4/c1-28-18-6-3-16(4-7-18)12-24-13-19(29-2)14-25(15-21(24)27)20(26)8-5-17-11-22-9-10-23-17/h3-4,6-7,9-11,19H,5,8,12-15H2,1-2H3