3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[(6-pyrrolidino-3-pyridyl)methyl]pyrazole-4-carboxamide Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CN=C(C=C4)N5CCCC5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CN=C(C=C4)N5CCCC5

InChI

InChI=1S/C24H27N5O3/c1-28-16-19(23(27-28)18-6-7-20-21(13-18)32-12-4-11-31-20)24(30)26-15-17-5-8-22(25-14-17)29-9-2-3-10-29/h5-8,13-14,16H,2-4,9-12,15H2,1H3,(H,26,30)