6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonyl-1,4-diazepan-2-one

Systemtic Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonyl-1,4-diazepan-2-one Openeye Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepan-2-one CAS Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]-1,4-diazepan-2-one IUPAC Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepan-2-one Traditional Name: 6-(cyclopropylmethoxy)-4-[(2S)-5-ketoprolyl]-1-m-anisyl-1,4-diazepan-2-one Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC(CN(CC2=O)C(=O)C3CCC(=O)N3)OCC4CC4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC(CN(CC2=O)C(=O)[C@@H]3CCC(=O)N3)OCC4CC4

InChI

InChI=1S/C22H29N3O5/c1-29-17-4-2-3-16(9-17)10-24-11-18(30-14-15-5-6-15)12-25(13-21(24)27)22(28)19-7-8-20(26)23-19/h2-4,9,15,18-19H,5-8,10-14H2,1H3,(H,23,26)/t18?,19-/m0/s1