(3S)-1-(2-chloranyl-7H-purin-6-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-phenylpropyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-phenylpropyl)nipecotamide Formula: C20H23ClN6O MolecularWeight: 398.88922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C20H23ClN6O/c21-20-25-17-16(23-13-24-17)18(26-20)27-11-5-9-15(12-27)19(28)22-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,13,15H,4-5,8-12H2,(H,22,28)(H,23,24,25,26)/t15-/m0/s1