N-[3-[[4-(3-methylbutanoylamino)phenyl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[[4-(3-methylbutanoylamino)phenyl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[4-[(3-methyl-1-oxobutyl)amino]anilino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[4-(isovalerylamino)anilino]-3-keto-propyl]adamantane-1-carboxamide Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H35N3O3/c1-16(2)9-23(30)28-21-5-3-20(4-6-21)27-22(29)7-8-26-24(31)25-13-17-10-18(14-25)12-19(11-17)15-25/h3-6,16-19H,7-15H2,1-2H3,(H,26,31)(H,27,29)(H,28,30)