[4-(1-azanylisoquinolin-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-[4-(2-imidazol-1-ylethynyl)phenyl]methanone

Systemtic Name: [4-(1-azanylisoquinolin-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-[4-(2-imidazol-1-ylethynyl)phenyl]methanone Openeye Name: [4-(1-amino-7-isoquinolyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-(2-imidazol-1-ylethynyl)phenyl]methanone CAS Name: [4-(1-amino-7-isoquinolinyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[2-(1-imidazolyl)ethynyl]phenyl]methanone IUPAC Name: [4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-[4-(2-imidazol-1-ylethynyl)phenyl]methanone Traditional Name: [4-(1-amino-7-isoquinolyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-(2-imidazol-1-ylethynyl)phenyl]methanone Formula: C26H21N5O MolecularWeight: 419.47784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC3=C(C=C2)C=CN=C3N)C(=O)C4=CC=C(C=C4)C#CN5C=CN=C5

Isomeric SMILES

C1CN(CC=C1C2=CC3=C(C=C2)C=CN=C3N)C(=O)C4=CC=C(C=C4)C#CN5C=CN=C5

InChI

InChI=1S/C26H21N5O/c27-25-24-17-23(6-5-21(24)7-11-29-25)20-9-14-31(15-10-20)26(32)22-3-1-19(2-4-22)8-13-30-16-12-28-18-30/h1-7,9,11-12,16-18H,10,14-15H2,(H2,27,29)