5-(1-adamantylmethyl)-3-azido-5-phenethyl-1-phenyl-1,5-benzodiazepin-5-ium-2,4-dione

Systemtic Name: 5-(1-adamantylmethyl)-3-azido-5-phenethyl-1-phenyl-1,5-benzodiazepin-5-ium-2,4-dione Openeye Name: 5-(1-adamantylmethyl)-3-azido-5-phenethyl-1-phenyl-1,5-benzodiazepin-5-ium-2,4-dione CAS Name: 5-(1-adamantylmethyl)-3-azido-5-phenethyl-1-phenyl-1,5-benzodiazepin-5-ium-2,4-dione IUPAC Name: 5-(1-adamantylmethyl)-3-azido-5-phenethyl-1-phenyl-1,5-benzodiazepin-5-ium-2,4-dione Traditional Name: 5-(1-adamantylmethyl)-3-azido-5-phenethyl-1-phenyl-1,5-benzodiazepin-5-ium-2,4-quinone Formula: C34H36N5O2+ MolecularWeight: 546.68194

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C[N+]4(C5=CC=CC=C5N(C(=O)C(C4=O)N=[N+]=[N-])C6=CC=CC=C6)CCC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C[N+]4(C5=CC=CC=C5N(C(=O)C(C4=O)N=[N+]=[N-])C6=CC=CC=C6)CCC7=CC=CC=C7

InChI

InChI=1S/C34H36N5O2/c35-37-36-31-32(40)38(28-11-5-2-6-12-28)29-13-7-8-14-30(29)39(33(31)41,16-15-24-9-3-1-4-10-24)23-34-20-25-17-26(21-34)19-27(18-25)22-34/h1-14,25-27,31H,15-23H2/q+1