N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenylpyrazol-4-yl)propionamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4)OC1

InChI

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