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

Systemtic Name: 4-(1-adamantyl)-N-[(2S)-1-diazanyl-1-oxidanylidene-3-phenyl-propan-2-yl]quinoline-2-carboxamide Openeye Name: 4-(1-adamantyl)-N-[(1S)-1-benzyl-2-hydrazino-2-oxo-ethyl]quinoline-2-carboxamide CAS Name: 4-(1-adamantyl)-N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-2-quinolinecarboxamide IUPAC Name: 4-(1-adamantyl)-N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]quinoline-2-carboxamide Traditional Name: 4-(1-adamantyl)-N-[(1S)-1-benzyl-2-hydrazino-2-keto-ethyl]quinaldamide Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NC(CC6=CC=CC=C6)C(=O)NN

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)NN

InChI

InChI=1S/C29H32N4O2/c30-33-28(35)25(13-18-6-2-1-3-7-18)32-27(34)26-14-23(22-8-4-5-9-24(22)31-26)29-15-19-10-20(16-29)12-21(11-19)17-29/h1-9,14,19-21,25H,10-13,15-17,30H2,(H,32,34)(H,33,35)/t19?,20?,21?,25-,29?/m0/s1