4-(1-adamantyl)-N-[(2S)-1-diazanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]quinoline-2-carboxamide

Systemtic Name: 4-(1-adamantyl)-N-[(2S)-1-diazanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]quinoline-2-carboxamide Openeye Name: 4-(1-adamantyl)-N-[(1S)-2-hydrazino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]quinoline-2-carboxamide CAS Name: 4-(1-adamantyl)-N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-quinolinecarboxamide IUPAC Name: 4-(1-adamantyl)-N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]quinoline-2-carboxamide Traditional Name: 4-(1-adamantyl)-N-[(1S)-2-hydrazino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]quinaldamide Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NC(CC6=CN=CN6)C(=O)NN

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)N[C@@H](CC6=CN=CN6)C(=O)NN

InChI

InChI=1S/C26H30N6O2/c27-32-25(34)22(8-18-13-28-14-29-18)31-24(33)23-9-20(19-3-1-2-4-21(19)30-23)26-10-15-5-16(11-26)7-17(6-15)12-26/h1-4,9,13-17,22H,5-8,10-12,27H2,(H,28,29)(H,31,33)(H,32,34)/t15?,16?,17?,22-,26?/m0/s1