N-[[4-[[4-(cyclopropylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[4-(cyclopropylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[4-(cyclopropylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[4-[[(cyclopropylamino)-oxomethyl]amino]anilino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[4-(cyclopropylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[[4-(cyclopropylcarbamoylamino)phenyl]carbamoyl]benzyl]adamantane-1-carboxamide Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC1NC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34N4O3/c34-26(31-23-5-7-24(8-6-23)32-28(36)33-25-9-10-25)22-3-1-18(2-4-22)17-30-27(35)29-14-19-11-20(15-29)13-21(12-19)16-29/h1-8,19-21,25H,9-17H2,(H,30,35)(H,31,34)(H2,32,33,36)