N-butan-2-yl-N-[2-[(4-dimethylaminophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-butan-2-yl-N-[2-[(4-dimethylaminophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[(4-dimethylaminophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxo-ethyl]-N-sec-butyl-adamantane-1-carboxamide CAS Name: N-butan-2-yl-N-[2-[(4-dimethylaminophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-butan-2-yl-N-[2-[(4-dimethylaminophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[[4-(dimethylamino)benzyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-keto-ethyl]-N-sec-butyl-adamantane-1-carboxamide Formula: C36H48N4O2 MolecularWeight: 568.79192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CCC1=CNC2=CC=CC=C21)CC3=CC=C(C=C3)N(C)C)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC(C)N(CC(=O)N(CCC1=CNC2=CC=CC=C21)CC3=CC=C(C=C3)N(C)C)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C36H48N4O2/c1-5-25(2)40(35(42)36-19-27-16-28(20-36)18-29(17-27)21-36)24-34(41)39(23-26-10-12-31(13-11-26)38(3)4)15-14-30-22-37-33-9-7-6-8-32(30)33/h6-13,22,25,27-29,37H,5,14-21,23-24H2,1-4H3