[4-(1-azanylisoquinolin-7-yl)piperazin-1-yl]-(4-pyridin-4-ylthiophen-2-yl)methanone

Systemtic Name: [4-(1-azanylisoquinolin-7-yl)piperazin-1-yl]-(4-pyridin-4-ylthiophen-2-yl)methanone Openeye Name: [4-(1-amino-7-isoquinolyl)piperazin-1-yl]-[4-(4-pyridyl)-2-thienyl]methanone CAS Name: [4-(1-amino-7-isoquinolinyl)-1-piperazinyl]-(4-pyridin-4-yl-2-thiophenyl)methanone IUPAC Name: [4-(1-aminoisoquinolin-7-yl)piperazin-1-yl]-(4-pyridin-4-ylthiophen-2-yl)methanone Traditional Name: [4-(1-amino-7-isoquinolyl)piperazino]-[4-(4-pyridyl)-2-thienyl]methanone Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)C=CN=C3N)C(=O)C4=CC(=CS4)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)C=CN=C3N)C(=O)C4=CC(=CS4)C5=CC=NC=C5

InChI

InChI=1S/C23H21N5OS/c24-22-20-14-19(2-1-17(20)5-8-26-22)27-9-11-28(12-10-27)23(29)21-13-18(15-30-21)16-3-6-25-7-4-16/h1-8,13-15H,9-12H2,(H2,24,26)