4-[2-(1-adamantyl)ethanoyl]-N-cyano-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide

Systemtic Name: 4-[2-(1-adamantyl)ethanoyl]-N-cyano-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide Openeye Name: 4-[2-(1-adamantyl)acetyl]-N-cyano-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine CAS Name: 4-[2-(1-adamantyl)-1-oxoethyl]-N-cyano-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide IUPAC Name: 4-[2-(1-adamantyl)acetyl]-N-cyano-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide Traditional Name: 4-[2-(1-adamantyl)acetyl]-N-cyano-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine Formula: C31H37N5O MolecularWeight: 495.65838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H37N5O/c1-22-7-5-6-10-27(22)34-30(33-21-32)35-11-12-36(28(20-35)26-8-3-2-4-9-26)29(37)19-31-16-23-13-24(17-31)15-25(14-23)18-31/h2-10,23-25,28H,11-20H2,1H3,(H,33,34)