N-[3-methyl-1-oxidanylidene-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[[4-(isopropylcarbamoylamino)phenyl]methylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methylamino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[[4-(isopropylcarbamoylamino)benzyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C27H40N4O3 MolecularWeight: 468.6315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)NC(=O)NC(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)NC(=O)NC(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H40N4O3/c1-16(2)23(31-25(33)27-12-19-9-20(13-27)11-21(10-19)14-27)24(32)28-15-18-5-7-22(8-6-18)30-26(34)29-17(3)4/h5-8,16-17,19-21,23H,9-15H2,1-4H3,(H,28,32)(H,31,33)(H2,29,30,34)