cyclopropyl-[2-[[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]methyl]morpholin-4-yl]methanone

Systemtic Name: cyclopropyl-[2-[[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]methyl]morpholin-4-yl]methanone Openeye Name: cyclopropyl-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]methanone CAS Name: cyclopropyl-[2-[[4-[(3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-4-morpholinyl]methanone IUPAC Name: cyclopropyl-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]methanone Traditional Name: cyclopropyl-[2-[(4-m-anisoyl-1,4-diazepan-1-yl)methyl]morpholino]methanone Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3CN(CCO3)C(=O)C4CC4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3CN(CCO3)C(=O)C4CC4

InChI

InChI=1S/C22H31N3O4/c1-28-19-5-2-4-18(14-19)22(27)24-9-3-8-23(10-11-24)15-20-16-25(12-13-29-20)21(26)17-6-7-17/h2,4-5,14,17,20H,3,6-13,15-16H2,1H3