N-[(3S)-4-(1-adamantyl)-1-[4-(tert-butylamino)cyclohexyl]-2-oxidanylidene-pyrrolidin-3-yl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[(3S)-4-(1-adamantyl)-1-[4-(tert-butylamino)cyclohexyl]-2-oxidanylidene-pyrrolidin-3-yl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[(3S)-4-(1-adamantyl)-1-[4-(tert-butylamino)cyclohexyl]-2-oxo-pyrrolidin-3-yl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[(3S)-4-(1-adamantyl)-1-[4-(tert-butylamino)cyclohexyl]-2-oxo-3-pyrrolidinyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[(3S)-4-(1-adamantyl)-1-[4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[(3S)-4-(1-adamantyl)-1-[4-(tert-butylamino)cyclohexyl]-2-keto-pyrrolidin-3-yl]-1-methyl-pyrrole-2-carboxamide Formula: C30H46N4O2 MolecularWeight: 494.71184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1CCC(CC1)N2CC(C(C2=O)NC(=O)C3=CC=CN3C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)(C)NC1CCC(CC1)N2CC([C@@H](C2=O)NC(=O)C3=CC=CN3C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H46N4O2/c1-29(2,3)32-22-7-9-23(10-8-22)34-18-24(30-15-19-12-20(16-30)14-21(13-19)17-30)26(28(34)36)31-27(35)25-6-5-11-33(25)4/h5-6,11,19-24,26,32H,7-10,12-18H2,1-4H3,(H,31,35)/t19?,20?,21?,22?,23?,24?,26-,30?/m0/s1