3-(1-adamantylcarbamoylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[2-methyl-4-(4-methylpiperazino)phenyl]propionamide Formula: C26H39N5O2 MolecularWeight: 453.62016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N5O2/c1-18-11-22(31-9-7-30(2)8-10-31)3-4-23(18)28-24(32)5-6-27-25(33)29-26-15-19-12-20(16-26)14-21(13-19)17-26/h3-4,11,19-21H,5-10,12-17H2,1-2H3,(H,28,32)(H2,27,29,33)