N-[(1S)-1-(1-adamantyl)-2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]-4-methyl-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]-4-methyl-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-oxo-2-(2-pyridylamino)ethyl]-4-methyl-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-oxo-2-(2-pyridinylamino)ethyl]-4-methylbenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-oxo-2-(pyridin-2-ylamino)ethyl]-4-methylbenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-(2-pyridylamino)ethyl]-4-methyl-benzamide Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(=O)NC2=CC=CC=N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C(=O)NC2=CC=CC=N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29N3O2/c1-16-5-7-20(8-6-16)23(29)28-22(24(30)27-21-4-2-3-9-26-21)25-13-17-10-18(14-25)12-19(11-17)15-25/h2-9,17-19,22H,10-15H2,1H3,(H,28,29)(H,26,27,30)/t17?,18?,19?,22-,25?/m1/s1