[1-[(4-methoxyphenyl)amino]isoquinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-[(4-methoxyphenyl)amino]isoquinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(4-methoxyanilino)-4-isoquinolyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [1-(4-methoxyanilino)-4-isoquinolinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-methoxyanilino)isoquinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(p-anisidino)-4-isoquinolyl]-[4-(2-pyridyl)piperazino]methanone Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H25N5O2/c1-33-20-11-9-19(10-12-20)29-25-22-7-3-2-6-21(22)23(18-28-25)26(32)31-16-14-30(15-17-31)24-8-4-5-13-27-24/h2-13,18H,14-17H2,1H3,(H,28,29)