N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C26H23ClN4O3 MolecularWeight: 474.93882

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)Cl)OC1

InChI

InChI=1S/C26H23ClN4O3/c27-22-12-19(13-23-25(22)34-11-5-10-33-23)14-29-26(32)21-17-31(16-18-6-2-1-3-7-18)30-24(21)20-8-4-9-28-15-20/h1-4,6-9,12-13,15,17H,5,10-11,14,16H2,(H,29,32)