N-[4-(4-chloranyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxy-phenyl]benzamide

Systemtic Name: N-[4-(4-chloranyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxy-phenyl]benzamide Openeye Name: N-[4-(4-chloro-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxy-phenyl]benzamide CAS Name: N-[4-(4-chloro-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-methoxyphenyl]benzamide IUPAC Name: N-[4-(4-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]benzamide Traditional Name: N-[4-(4-chloro-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxy-phenyl]benzamide Formula: C25H23ClN4O2 MolecularWeight: 446.92872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)Cl)C4CCCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)Cl)C4CCCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H23ClN4O2/c1-32-21-13-17(11-12-20(21)29-25(31)16-7-3-2-4-8-16)19-14-30(18-9-5-6-10-18)24-22(19)23(26)27-15-28-24/h2-4,7-8,11-15,18H,5-6,9-10H2,1H3,(H,29,31)