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

Systemtic Name: N-[2-(diethylamino)-2-phenyl-ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-(diethylamino)-2-phenyl-ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-[2-(diethylamino)-2-phenylethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(diethylamino)-2-phenylethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-[2-(diethylamino)-2-phenyl-ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3/c1-4-30(5-2)22(19-10-7-6-8-11-19)17-27-26(31)21-18-29(3)28-25(21)20-12-13-23-24(16-20)33-15-9-14-32-23/h6-8,10-13,16,18,22H,4-5,9,14-15,17H2,1-3H3,(H,27,31)