4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonyl-N,N-diethyl-piperazine-1-carboxamide

Systemtic Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonyl-N,N-diethyl-piperazine-1-carboxamide Openeye Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]-N,N-diethyl-piperazine-1-carboxamide CAS Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]-N,N-diethyl-1-piperazinecarboxamide IUPAC Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]-N,N-diethylpiperazine-1-carboxamide Traditional Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]-N,N-diethyl-piperazine-1-carboxamide Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C23H31N5O4/c1-4-26(5-2)23(30)28-11-9-27(10-12-28)22(29)18-16-25(3)24-21(18)17-7-8-19-20(15-17)32-14-6-13-31-19/h7-8,15-16H,4-6,9-14H2,1-3H3