3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(pyrazol-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=CC=C4CN5C=CC=N5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=CC=C4CN5C=CC=N5

InChI

InChI=1S/C25H25N5O3/c1-29-17-21(24(28-29)18-8-9-22-23(14-18)33-13-5-12-32-22)25(31)26-15-19-6-2-3-7-20(19)16-30-11-4-10-27-30/h2-4,6-11,14,17H,5,12-13,15-16H2,1H3,(H,26,31)