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

Systemtic Name: 3-[[2-(isoquinolin-6-ylamino)-2-oxidanylidene-ethyl]amino]-N-pyridin-3-yl-benzamide Openeye Name: 3-[[2-(6-isoquinolylamino)-2-oxo-ethyl]amino]-N-(3-pyridyl)benzamide CAS Name: 3-[[2-(6-isoquinolinylamino)-2-oxoethyl]amino]-N-(3-pyridinyl)benzamide IUPAC Name: 3-[[2-(isoquinolin-6-ylamino)-2-oxoethyl]amino]-N-pyridin-3-ylbenzamide Traditional Name: 3-[[2-(6-isoquinolylamino)-2-keto-ethyl]amino]-N-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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