N-[1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-methyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[1-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-keto-1-methyl-2-[[6-(4-methylpiperazino)-3-pyridyl]amino]ethyl]adamantane-1-carboxamide Formula: C24H35N5O2 MolecularWeight: 425.567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN=C(C=C1)N2CCN(CC2)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C(=O)NC1=CN=C(C=C1)N2CCN(CC2)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N5O2/c1-16(26-23(31)24-12-17-9-18(13-24)11-19(10-17)14-24)22(30)27-20-3-4-21(25-15-20)29-7-5-28(2)6-8-29/h3-4,15-19H,5-14H2,1-2H3,(H,26,31)(H,27,30)