N-[3-[3-(1-adamantylcarbamoylamino)propanoylamino]-4-methyl-phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[3-(1-adamantylcarbamoylamino)propanoylamino]-4-methyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[3-(1-adamantylcarbamoylamino)propanoylamino]-4-methyl-phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropyl]amino]-4-methylphenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[3-(1-adamantylcarbamoylamino)propanoylamino]-4-methylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-[3-(1-adamantylcarbamoylamino)propanoylamino]-4-methyl-phenyl]cyclopropanecarboxamide Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N4O3/c1-15-2-5-20(27-23(31)19-3-4-19)11-21(15)28-22(30)6-7-26-24(32)29-25-12-16-8-17(13-25)10-18(9-16)14-25/h2,5,11,16-19H,3-4,6-10,12-14H2,1H3,(H,27,31)(H,28,30)(H2,26,29,32)