N-(2-chloranyl-4-methyl-phenyl)-5,6-dimethyl-7-phenyl-4-piperidin-1-yl-pyrrolo[2,3-d]pyrimidine-2-carboxamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-5,6-dimethyl-7-phenyl-4-piperidin-1-yl-pyrrolo[2,3-d]pyrimidine-2-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-5,6-dimethyl-7-phenyl-4-(1-piperidyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-5,6-dimethyl-7-phenyl-4-(1-piperidinyl)-2-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-5,6-dimethyl-7-phenyl-4-piperidino-pyrrolo[2,3-d]pyrimidine-2-carboxamide Formula: C27H28ClN5O MolecularWeight: 473.99712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=NC3=C(C(=C(N3C4=CC=CC=C4)C)C)C(=N2)N5CCCCC5)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=NC3=C(C(=C(N3C4=CC=CC=C4)C)C)C(=N2)N5CCCCC5)Cl

InChI

InChI=1S/C27H28ClN5O/c1-17-12-13-22(21(28)16-17)29-27(34)24-30-25(32-14-8-5-9-15-32)23-18(2)19(3)33(26(23)31-24)20-10-6-4-7-11-20/h4,6-7,10-13,16H,5,8-9,14-15H2,1-3H3,(H,29,34)