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

Systemtic Name: N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(pyrazol-1-ylmethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4)OC1

InChI

InChI=1S/C21H21N3O3/c25-21(18-7-8-19-20(13-18)27-12-2-11-26-19)22-14-16-3-5-17(6-4-16)15-24-10-1-9-23-24/h1,3-10,13H,2,11-12,14-15H2,(H,22,25)