N-[[4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(piperonyloylamino)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NNC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NNC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H29N3O5/c31-24(29-30-25(32)21-5-6-22-23(10-21)35-15-34-22)20-3-1-16(2-4-20)14-28-26(33)27-11-17-7-18(12-27)9-19(8-17)13-27/h1-6,10,17-19H,7-9,11-15H2,(H,28,33)(H,29,31)(H,30,32)