[4-(1-azanylisoquinolin-7-yl)piperidin-1-yl]-[4-(2-pyridin-3-ylethyl)phenyl]methanone

Systemtic Name: [4-(1-azanylisoquinolin-7-yl)piperidin-1-yl]-[4-(2-pyridin-3-ylethyl)phenyl]methanone Openeye Name: [4-(1-amino-7-isoquinolyl)-1-piperidyl]-[4-[2-(3-pyridyl)ethyl]phenyl]methanone CAS Name: [4-(1-amino-7-isoquinolinyl)-1-piperidinyl]-[4-[2-(3-pyridinyl)ethyl]phenyl]methanone IUPAC Name: [4-(1-aminoisoquinolin-7-yl)piperidin-1-yl]-[4-(2-pyridin-3-ylethyl)phenyl]methanone Traditional Name: [4-(1-amino-7-isoquinolyl)piperidino]-[4-[2-(3-pyridyl)ethyl]phenyl]methanone Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=C(C=C2)C=CN=C3N)C(=O)C4=CC=C(C=C4)CCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1C2=CC3=C(C=C2)C=CN=C3N)C(=O)C4=CC=C(C=C4)CCC5=CN=CC=C5

InChI

InChI=1S/C28H28N4O/c29-27-26-18-25(10-9-23(26)11-15-31-27)22-12-16-32(17-13-22)28(33)24-7-5-20(6-8-24)3-4-21-2-1-14-30-19-21/h1-2,5-11,14-15,18-19,22H,3-4,12-13,16-17H2,(H2,29,31)