3-[[2-(isoquinolin-6-ylamino)-2-oxidanylidene-ethyl]amino]-N-pyridin-4-yl-benzamide

Systemtic Name: 3-[[2-(isoquinolin-6-ylamino)-2-oxidanylidene-ethyl]amino]-N-pyridin-4-yl-benzamide Openeye Name: 3-[[2-(6-isoquinolylamino)-2-oxo-ethyl]amino]-N-(4-pyridyl)benzamide CAS Name: 3-[[2-(6-isoquinolinylamino)-2-oxoethyl]amino]-N-pyridin-4-ylbenzamide IUPAC Name: 3-[[2-(isoquinolin-6-ylamino)-2-oxoethyl]amino]-N-pyridin-4-ylbenzamide Traditional Name: 3-[[2-(6-isoquinolylamino)-2-keto-ethyl]amino]-N-(4-pyridyl)benzamide Formula: C23H19N5O2 MolecularWeight: 397.42926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC(=O)NC2=CC3=C(C=C2)C=NC=C3)C(=O)NC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC(=C1)NCC(=O)NC2=CC3=C(C=C2)C=NC=C3)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C23H19N5O2/c29-22(27-21-5-4-18-14-25-9-6-16(18)12-21)15-26-20-3-1-2-17(13-20)23(30)28-19-7-10-24-11-8-19/h1-14,26H,15H2,(H,27,29)(H,24,28,30)