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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(isobutyrylamino)phenyl]-1-methyl-pyrazole-4-carboxamide Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C24H26N4O4/c1-15(2)23(29)25-17-6-8-18(9-7-17)26-24(30)19-14-28(3)27-22(19)16-5-10-20-21(13-16)32-12-4-11-31-20/h5-10,13-15H,4,11-12H2,1-3H3,(H,25,29)(H,26,30)