N-[[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[(4-cyanophenyl)methylamino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(4-cyanobenzyl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H29N3O2/c28-15-18-1-3-19(4-2-18)16-29-25(31)24-7-5-20(6-8-24)17-30-26(32)27-12-21-9-22(13-27)11-23(10-21)14-27/h1-8,21-23H,9-14,16-17H2,(H,29,31)(H,30,32)