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

Systemtic Name: [4-(1-azanylisoquinolin-7-yl)piperidin-1-yl]-[4-(2-pyridin-4-ylethyl)phenyl]methanone Openeye Name: [4-(1-amino-7-isoquinolyl)-1-piperidyl]-[4-[2-(4-pyridyl)ethyl]phenyl]methanone CAS Name: [4-(1-amino-7-isoquinolinyl)-1-piperidinyl]-[4-(2-pyridin-4-ylethyl)phenyl]methanone IUPAC Name: [4-(1-aminoisoquinolin-7-yl)piperidin-1-yl]-[4-(2-pyridin-4-ylethyl)phenyl]methanone Traditional Name: [4-(1-amino-7-isoquinolyl)piperidino]-[4-[2-(4-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=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O/c29-27-26-19-25(8-7-23(26)11-16-31-27)22-12-17-32(18-13-22)28(33)24-5-3-20(4-6-24)1-2-21-9-14-30-15-10-21/h3-11,14-16,19,22H,1-2,12-13,17-18H2,(H2,29,31)