N-[(1R,3S)-5-aminocarbonyl-2-adamantyl]-4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide

Systemtic Name: N-[(1R,3S)-5-aminocarbonyl-2-adamantyl]-4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide Openeye Name: 4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-N-[(1R,3S)-5-carbamoyl-2-adamantyl]-2,3-dihydroquinoxaline-1-carboxamide CAS Name: 4-[4-(4-tert-butyl-1-piperazinyl)phenyl]-N-[(1R,3S)-5-carbamoyl-2-adamantyl]-2,3-dihydroquinoxaline-1-carboxamide IUPAC Name: 4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-N-[(1R,3S)-5-carbamoyl-2-adamantyl]-2,3-dihydroquinoxaline-1-carboxamide Traditional Name: 4-[4-(4-tert-butylpiperazino)phenyl]-N-[(1R,3S)-5-carbamoyl-2-adamantyl]-2,3-dihydroquinoxaline-1-carboxamide Formula: C34H46N6O2 MolecularWeight: 570.76804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1)C2=CC=C(C=C2)N3CCN(C4=CC=CC=C43)C(=O)NC5C6CC7CC5CC(C7)(C6)C(=O)N

Isomeric SMILES

CC(C)(C)N1CCN(CC1)C2=CC=C(C=C2)N3CCN(C4=CC=CC=C43)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N

InChI

InChI=1S/C34H46N6O2/c1-33(2,3)38-14-12-37(13-15-38)26-8-10-27(11-9-26)39-16-17-40(29-7-5-4-6-28(29)39)32(42)36-30-24-18-23-19-25(30)22-34(20-23,21-24)31(35)41/h4-11,23-25,30H,12-22H2,1-3H3,(H2,35,41)(H,36,42)/t23?,24-,25+,30?,34?