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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(pyrazin-2-ylamino)ethyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(pyrazin-2-ylamino)ethyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(2-pyrazinylamino)ethyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(pyrazin-2-ylamino)ethyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(pyrazin-2-ylamino)ethyl]pyrazole-4-carboxamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCNC4=NC=CN=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCNC4=NC=CN=C4

InChI

InChI=1S/C20H22N6O3/c1-26-13-15(20(27)24-8-7-23-18-12-21-5-6-22-18)19(25-26)14-3-4-16-17(11-14)29-10-2-9-28-16/h3-6,11-13H,2,7-10H2,1H3,(H,22,23)(H,24,27)