3-(1-adamantylcarbamoylamino)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-cyclopropyl-N-(2,5-dimethoxybenzyl)propionamide Formula: C26H37N3O4 MolecularWeight: 455.58968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(C2CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(C2CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37N3O4/c1-32-22-5-6-23(33-2)20(12-22)16-29(21-3-4-21)24(30)7-8-27-25(31)28-26-13-17-9-18(14-26)11-19(10-17)15-26/h5-6,12,17-19,21H,3-4,7-11,13-16H2,1-2H3,(H2,27,28,31)