3-(1-adamantylcarbamoylamino)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[2-[4-(m-tolyl)piperazino]ethyl]propionamide Formula: C27H41N5O2 MolecularWeight: 467.64674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H41N5O2/c1-20-3-2-4-24(13-20)32-11-9-31(10-12-32)8-7-28-25(33)5-6-29-26(34)30-27-17-21-14-22(18-27)16-23(15-21)19-27/h2-4,13,21-23H,5-12,14-19H2,1H3,(H,28,33)(H2,29,30,34)