N-[2-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]-5-isocyano-phenyl]-3-(1-methylcyclohexyl)propanamide

Systemtic Name: N-[2-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]-5-isocyano-phenyl]-3-(1-methylcyclohexyl)propanamide Openeye Name: N-[2-[[2-(cyclohexylamino)-2-oxo-ethyl]amino]-5-isocyano-phenyl]-3-(1-methylcyclohexyl)propanamide CAS Name: N-[2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-5-isocyanophenyl]-3-(1-methylcyclohexyl)propanamide IUPAC Name: N-[2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-5-isocyanophenyl]-3-(1-methylcyclohexyl)propanamide Traditional Name: N-[2-[[2-(cyclohexylamino)-2-keto-ethyl]amino]-5-isocyano-phenyl]-3-(1-methylcyclohexyl)propionamide Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)CCC(=O)NC2=C(C=CC(=C2)[N+]#[C-])NCC(=O)NC3CCCCC3

Isomeric SMILES

CC1(CCCCC1)CCC(=O)NC2=C(C=CC(=C2)[N+]#[C-])NCC(=O)NC3CCCCC3

InChI

InChI=1S/C25H36N4O2/c1-25(14-7-4-8-15-25)16-13-23(30)29-22-17-20(26-2)11-12-21(22)27-18-24(31)28-19-9-5-3-6-10-19/h11-12,17,19,27H,3-10,13-16,18H2,1H3,(H,28,31)(H,29,30)