4-[2-(1-adamantylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(1-adamantylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[2-(1-adamantylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[(1-adamantylamino)-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[2-(1-adamantylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[2-(1-adamantylcarbamoylamino)-3-(1H-indol-3-yl)propanoyl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C31H44N6O3 MolecularWeight: 548.71946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H44N6O3/c1-19(2)33-30(40)37-9-8-36(18-20(37)3)28(38)27(13-24-17-32-26-7-5-4-6-25(24)26)34-29(39)35-31-14-21-10-22(15-31)12-23(11-21)16-31/h4-7,17,19-23,27,32H,8-16,18H2,1-3H3,(H,33,40)(H2,34,35,39)