4-(azepan-1-yl)-N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitro-benzamide Formula: C26H24IN5O3 MolecularWeight: 581.40493

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN5C=C(C=CC5=N3)I)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN5C=C(C=CC5=N3)I)[N+](=O)[O-]

InChI

InChI=1S/C26H24IN5O3/c27-20-10-12-24-28-25(21-8-4-3-7-19(21)16-31(24)17-20)29-26(33)18-9-11-22(23(15-18)32(34)35)30-13-5-1-2-6-14-30/h3-4,7-12,15,17H,1-2,5-6,13-14,16H2