4-[(E)-3-(1-adamantylamino)-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide

Systemtic Name: 4-[(E)-3-(1-adamantylamino)-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide Openeye Name: 4-[(E)-3-(1-adamantylamino)-3-oxo-prop-1-enyl]-N-methyl-benzamide CAS Name: 4-[(E)-3-(1-adamantylamino)-3-oxoprop-1-enyl]-N-methylbenzamide IUPAC Name: 4-[(E)-3-(1-adamantylamino)-3-oxoprop-1-enyl]-N-methylbenzamide Traditional Name: 4-[(E)-3-(1-adamantylamino)-3-keto-prop-1-enyl]-N-methyl-benzamide Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C=CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26N2O2/c1-22-20(25)18-5-2-14(3-6-18)4-7-19(24)23-21-11-15-8-16(12-21)10-17(9-15)13-21/h2-7,15-17H,8-13H2,1H3,(H,22,25)(H,23,24)/b7-4+