3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[5-(1-piperidyl)-8-isoquinolyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[5-(1-piperidinyl)-8-isoquinolinyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(5-piperidino-8-isoquinolyl)pyrazole-4-carboxamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=C5C=NC=CC5=C(C=C4)N6CCCCC6

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=C5C=NC=CC5=C(C=C4)N6CCCCC6

InChI

InChI=1S/C28H29N5O3/c1-32-18-22(27(31-32)19-6-9-25-26(16-19)36-15-5-14-35-25)28(34)30-23-7-8-24(33-12-3-2-4-13-33)20-10-11-29-17-21(20)23/h6-11,16-18H,2-5,12-15H2,1H3,(H,30,34)