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

Systemtic Name: 4-(1-adamantyl)-N-[(2S)-1-diazanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]quinoline-2-carboxamide Openeye Name: 4-(1-adamantyl)-N-[(1S)-2-hydrazino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]quinoline-2-carboxamide CAS Name: 4-(1-adamantyl)-N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-quinolinecarboxamide IUPAC Name: 4-(1-adamantyl)-N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-2-carboxamide Traditional Name: 4-(1-adamantyl)-N-[(1S)-2-hydrazino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]quinaldamide Formula: C31H33N5O2 MolecularWeight: 507.62602

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)NN

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)NN

InChI

InChI=1S/C31H33N5O2/c32-36-30(38)27(12-21-17-33-25-7-3-1-5-22(21)25)35-29(37)28-13-24(23-6-2-4-8-26(23)34-28)31-14-18-9-19(15-31)11-20(10-18)16-31/h1-8,13,17-20,27,33H,9-12,14-16,32H2,(H,35,37)(H,36,38)/t18?,19?,20?,27-,31?/m0/s1