2-[[3-[(2-cyano-3-methyl-phenyl)amino]-2-methyl-1-adamantyl]amino]-6-methyl-benzenecarbonitrile

Systemtic Name: 2-[[3-[(2-cyano-3-methyl-phenyl)amino]-2-methyl-1-adamantyl]amino]-6-methyl-benzenecarbonitrile Openeye Name: 2-[[3-(2-cyano-3-methyl-anilino)-2-methyl-1-adamantyl]amino]-6-methyl-benzonitrile CAS Name: 2-[[3-(2-cyano-3-methylanilino)-2-methyl-1-adamantyl]amino]-6-methylbenzonitrile IUPAC Name: 2-[[3-(2-cyano-3-methylanilino)-2-methyl-1-adamantyl]amino]-6-methylbenzonitrile Traditional Name: 2-[[3-(2-cyano-3-methyl-anilino)-2-methyl-1-adamantyl]amino]-6-methyl-benzonitrile Formula: C27H30N4 MolecularWeight: 410.5539

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2(CC3CC(C2)CC1(C3)NC4=CC=CC(=C4C#N)C)NC5=CC=CC(=C5C#N)C

Isomeric SMILES

CC1C2(CC3CC(C2)CC1(C3)NC4=CC=CC(=C4C#N)C)NC5=CC=CC(=C5C#N)C

InChI

InChI=1S/C27H30N4/c1-17-6-4-8-24(22(17)15-28)30-26-11-20-10-21(12-26)14-27(13-20,19(26)3)31-25-9-5-7-18(2)23(25)16-29/h4-9,19-21,30-31H,10-14H2,1-3H3