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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(4-phenyl-1-piperazinyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(4-phenylpiperazino)ethyl]pyrazole-4-carboxamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5O3/c1-29-19-22(25(28-29)20-8-9-23-24(18-20)34-17-5-16-33-23)26(32)27-10-11-30-12-14-31(15-13-30)21-6-3-2-4-7-21/h2-4,6-9,18-19H,5,10-17H2,1H3,(H,27,32)