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

Systemtic Name: N-[4-(diethylcarbamoyl)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[4-(diethylcarbamoyl)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-[4-[diethylamino(oxo)methyl]phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(diethylcarbamoyl)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-[4-(diethylcarbamoyl)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4/c1-4-29(5-2)25(31)17-7-10-19(11-8-17)26-24(30)20-16-28(3)27-23(20)18-9-12-21-22(15-18)33-14-6-13-32-21/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,26,30)