3-(1-adamantylcarbamoylamino)-N-(4-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4/c1-13-2-3-17(9-18(13)25(28)29)23-19(26)4-5-22-20(27)24-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-12H2,1H3,(H,23,26)(H2,22,24,27)