5-(1-adamantylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-phenethyl-benzamide

Systemtic Name: 5-(1-adamantylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-phenethyl-benzamide Openeye Name: 5-(1-adamantylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-phenethyl-benzamide CAS Name: 5-[[(1-adamantylamino)-oxomethyl]amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-phenethylbenzamide IUPAC Name: 5-(1-adamantylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-phenethylbenzamide Traditional Name: 5-(1-adamantylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-phenethyl-benzamide Formula: C37H45N5O3 MolecularWeight: 607.7849

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)C(=O)NCCC7=CC=CC=C7

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)C(=O)NCCC7=CC=CC=C7

InChI

InChI=1S/C37H45N5O3/c1-45-34-10-6-5-9-33(34)42-17-15-41(16-18-42)32-12-11-30(22-31(32)35(43)38-14-13-26-7-3-2-4-8-26)39-36(44)40-37-23-27-19-28(24-37)21-29(20-27)25-37/h2-12,22,27-29H,13-21,23-25H2,1H3,(H,38,43)(H2,39,40,44)