N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]adamantane-1-carboxamide

Systemtic Name: N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]adamantane-1-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-ylamino)-1-methyl-3-oxo-propylidene]amino]adamantane-1-carboxamide CAS Name: N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]adamantane-1-carboxamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-ylamino)-3-keto-1-methyl-propylidene]amino]adamantane-1-carboxamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C12CC3CC(C1)CC(C3)C2)CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C/C(=N\NC(=O)C12CC3CC(C1)CC(C3)C2)/CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N3O4/c1-13(4-20(26)23-17-2-3-18-19(8-17)29-12-28-18)24-25-21(27)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-3,8,14-16H,4-7,9-12H2,1H3,(H,23,26)(H,25,27)/b24-13+