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

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-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)CC1=CC=CC=C1CNC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

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