N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyrazin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyrazin-2-yl-piperazine-1-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyrazin-2-yl-piperazine-1-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-pyrazinyl)-1-piperazinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyrazin-2-yl-piperazine-1-carboxamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)N3CCN(CC3)C4=NC=CN=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)N3CCN(CC3)C4=NC=CN=C4)OC1

InChI

InChI=1S/C18H21N5O3/c24-18(21-14-2-3-15-16(12-14)26-11-1-10-25-15)23-8-6-22(7-9-23)17-13-19-4-5-20-17/h2-5,12-13H,1,6-11H2,(H,21,24)