5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-(3-morpholinopropyl)pyrrole-3-carboxamide CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-[3-(4-morpholinyl)propyl]-3-pyrrolecarboxamide IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-1-(3-morpholinopropyl)pyrrole-3-carboxamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCN2CCOCC2)C3=CC4=C(C=C3)OCCCO4)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CCCN2CCOCC2)C3=CC4=C(C=C3)OCCCO4)C(=O)N

InChI

InChI=1S/C22H29N3O4/c1-16-18(22(23)26)15-19(25(16)7-2-6-24-8-12-27-13-9-24)17-4-5-20-21(14-17)29-11-3-10-28-20/h4-5,14-15H,2-3,6-13H2,1H3,(H2,23,26)