N-[2-(1-adamantyl)ethyl]-4-chloranyl-1-pyrimidin-2-yl-indole-3-carboxamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-4-chloranyl-1-pyrimidin-2-yl-indole-3-carboxamide Openeye Name: N-[2-(1-adamantyl)ethyl]-4-chloro-1-pyrimidin-2-yl-indole-3-carboxamide CAS Name: N-[2-(1-adamantyl)ethyl]-4-chloro-1-(2-pyrimidinyl)-3-indolecarboxamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-4-chloro-1-pyrimidin-2-ylindole-3-carboxamide Traditional Name: N-[2-(1-adamantyl)ethyl]-4-chloro-1-(2-pyrimidyl)indole-3-carboxamide Formula: C25H27ClN4O MolecularWeight: 434.96108

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=CN(C5=C4C(=CC=C5)Cl)C6=NC=CC=N6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=CN(C5=C4C(=CC=C5)Cl)C6=NC=CC=N6

InChI

InChI=1S/C25H27ClN4O/c26-20-3-1-4-21-22(20)19(15-30(21)24-28-6-2-7-29-24)23(31)27-8-5-25-12-16-9-17(13-25)11-18(10-16)14-25/h1-4,6-7,15-18H,5,8-14H2,(H,27,31)