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

Systemtic Name: N-[(3S)-4-(1-adamantyl)-1-[4-(tert-butylamino)cyclohexyl]-2-oxidanylidene-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide Openeye Name: N-[(3S)-4-(1-adamantyl)-1-[4-(tert-butylamino)cyclohexyl]-2-oxo-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide CAS Name: N-[(3S)-4-(1-adamantyl)-1-[4-(tert-butylamino)cyclohexyl]-2-oxo-3-pyrrolidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(3S)-4-(1-adamantyl)-1-[4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide Traditional Name: N-[(3S)-4-(1-adamantyl)-1-[4-(tert-butylamino)cyclohexyl]-2-keto-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide Formula: C29H44N4O2 MolecularWeight: 480.68526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1CCC(CC1)N2CC(C(C2=O)NC(=O)C3=CC=CN3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)(C)NC1CCC(CC1)N2CC([C@@H](C2=O)NC(=O)C3=CC=CN3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H44N4O2/c1-28(2,3)32-21-6-8-22(9-7-21)33-17-23(25(27(33)35)31-26(34)24-5-4-10-30-24)29-14-18-11-19(15-29)13-20(12-18)16-29/h4-5,10,18-23,25,30,32H,6-9,11-17H2,1-3H3,(H,31,34)/t18?,19?,20?,21?,22?,23?,25-,29?/m0/s1