N-(5-chloranylpyridin-2-yl)-2-[[4-(N,N-dimethylcarbamimidoyl)phenyl]carbonylamino]-5-ethynyl-3-methoxy-benzamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[[4-(N,N-dimethylcarbamimidoyl)phenyl]carbonylamino]-5-ethynyl-3-methoxy-benzamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-ethynyl-3-methoxy-benzamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[[[4-[dimethylamino(imino)methyl]phenyl]-oxomethyl]amino]-5-ethynyl-3-methoxybenzamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-ethynyl-3-methoxybenzamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[[4-(N,N-dimethylamidino)benzoyl]amino]-5-ethynyl-3-methoxy-benzamide Formula: C25H22ClN5O3 MolecularWeight: 475.92688

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2OC)C#C)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2OC)C#C)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C25H22ClN5O3/c1-5-15-12-19(25(33)29-21-11-10-18(26)14-28-21)22(20(13-15)34-4)30-24(32)17-8-6-16(7-9-17)23(27)31(2)3/h1,6-14,27H,2-4H3,(H,30,32)(H,28,29,33)