6-oxidanylidene-1-(2-phenoxyethyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)pyridazine-3-carboxamide

Systemtic Name: 6-oxidanylidene-1-(2-phenoxyethyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)pyridazine-3-carboxamide Openeye Name: 6-oxo-1-(2-phenoxyethyl)-N-[5-(1-piperidyl)-8-isoquinolyl]pyridazine-3-carboxamide CAS Name: 6-oxo-1-(2-phenoxyethyl)-N-[5-(1-piperidinyl)-8-isoquinolinyl]-3-pyridazinecarboxamide IUPAC Name: 6-oxo-1-(2-phenoxyethyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)pyridazine-3-carboxamide Traditional Name: 6-keto-1-(2-phenoxyethyl)-N-(5-piperidino-8-isoquinolyl)pyridazine-3-carboxamide Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=NN(C(=O)C=C4)CCOC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=NN(C(=O)C=C4)CCOC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O3/c33-26-12-10-24(30-32(26)17-18-35-20-7-3-1-4-8-20)27(34)29-23-9-11-25(31-15-5-2-6-16-31)21-13-14-28-19-22(21)23/h1,3-4,7-14,19H,2,5-6,15-18H2,(H,29,34)