4-(1-adamantyl)-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-diazanyl-1-oxidanylidene-pentan-2-yl]quinoline-2-carboxamide

Systemtic Name: 4-(1-adamantyl)-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-diazanyl-1-oxidanylidene-pentan-2-yl]quinoline-2-carboxamide Openeye Name: 4-(1-adamantyl)-N-[(1S)-4-guanidino-1-(hydrazinecarbonyl)butyl]quinoline-2-carboxamide CAS Name: 4-(1-adamantyl)-N-[(2S)-5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]-2-quinolinecarboxamide IUPAC Name: 4-(1-adamantyl)-N-[(2S)-5-(diaminomethylideneamino)-1-hydrazinyl-1-oxopentan-2-yl]quinoline-2-carboxamide Traditional Name: 4-(1-adamantyl)-N-[(1S)-1-carbazoyl-4-guanidino-butyl]quinaldamide Formula: C26H35N7O2 MolecularWeight: 477.6018

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NC(CCCN=C(N)N)C(=O)NN

Isomeric SMILES

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

InChI

InChI=1S/C26H35N7O2/c27-25(28)30-7-3-6-21(24(35)33-29)32-23(34)22-11-19(18-4-1-2-5-20(18)31-22)26-12-15-8-16(13-26)10-17(9-15)14-26/h1-2,4-5,11,15-17,21H,3,6-10,12-14,29H2,(H,32,34)(H,33,35)(H4,27,28,30)/t15?,16?,17?,21-,26?/m0/s1