3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-phenylpropyl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-phenylpropyl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-phenylpropyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-phenylpropyl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-phenylpropyl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-phenylpropyl)pyrazole-4-carboxamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-16(17-7-4-3-5-8-17)14-24-23(27)19-15-26(2)25-22(19)18-9-10-20-21(13-18)29-12-6-11-28-20/h3-5,7-10,13,15-16H,6,11-12,14H2,1-2H3,(H,24,27)