4-[(3S,5R)-4-chloranyl-4-methyl-1-adamantyl]benzenecarbonitrile

Systemtic Name: 4-[(3S,5R)-4-chloranyl-4-methyl-1-adamantyl]benzenecarbonitrile Openeye Name: 4-[(3S,5R)-4-chloro-4-methyl-1-adamantyl]benzonitrile CAS Name: 4-[(3S,5R)-4-chloro-4-methyl-1-adamantyl]benzonitrile IUPAC Name: 4-[(3S,5R)-4-chloro-4-methyl-1-adamantyl]benzonitrile Traditional Name: 4-[(3S,5R)-4-chloro-4-methyl-1-adamantyl]benzonitrile Formula: C18H20ClN MolecularWeight: 285.8111

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC3CC1CC(C3)(C2)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CC1([C@@H]2CC3C[C@H]1CC(C2)(C3)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C18H20ClN/c1-17(19)15-6-13-7-16(17)10-18(8-13,9-15)14-4-2-12(11-20)3-5-14/h2-5,13,15-16H,6-10H2,1H3/t13?,15-,16+,17?,18?