4-oxidanylidene-N-(5-piperidin-1-ylisoquinolin-8-yl)-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-(5-piperidin-1-ylisoquinolin-8-yl)-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[5-(1-piperidyl)-8-isoquinolyl]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[5-(1-piperidinyl)-8-isoquinolinyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-(5-piperidin-1-ylisoquinolin-8-yl)-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(5-piperidino-8-isoquinolyl)-3-propyl-phthalazine-1-carboxamide Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

InChI

InChI=1S/C26H27N5O2/c1-2-14-31-26(33)20-9-5-4-8-19(20)24(29-31)25(32)28-22-10-11-23(30-15-6-3-7-16-30)18-12-13-27-17-21(18)22/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,28,32)