4-(2-chloranylpyridin-4-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: 4-(2-chloranylpyridin-4-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Openeye Name: 4-(2-chloropyridine-4-carbonyl)-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one CAS Name: 4-[(2-chloro-4-pyridinyl)-oxomethyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 4-(2-chloropyridine-4-carbonyl)-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 4-(2-chloroisonicotinoyl)-6-m-anisyloxy-1-phenethyl-1,4-diazepan-2-one Formula: C27H28ClN3O4 MolecularWeight: 493.98192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC3=CC=CC=C3)C(=O)C4=CC(=NC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC3=CC=CC=C3)C(=O)C4=CC(=NC=C4)Cl

InChI

InChI=1S/C27H28ClN3O4/c1-34-23-9-5-8-21(14-23)19-35-24-16-30(13-11-20-6-3-2-4-7-20)26(32)18-31(17-24)27(33)22-10-12-29-25(28)15-22/h2-10,12,14-15,24H,11,13,16-19H2,1H3