N-(2-dimethylaminoethyl)-9-[8-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]octylamino]acridine-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-9-[8-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]octylamino]acridine-4-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-9-[8-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]octylamino]acridine-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-9-[8-[[4-[(2-dimethylaminoethylamino)-oxomethyl]-9-acridinyl]amino]octylamino]-4-acridinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-9-[8-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]octylamino]acridine-4-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-9-[8-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]octylamino]acridine-4-carboxamide Formula: C44H54N8O2 MolecularWeight: 726.95196

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NCCCCCCCCNC4=C5C=CC=C(C5=NC6=CC=CC=C64)C(=O)NCCN(C)C

Isomeric SMILES

CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NCCCCCCCCNC4=C5C=CC=C(C5=NC6=CC=CC=C64)C(=O)NCCN(C)C

InChI

InChI=1S/C44H54N8O2/c1-51(2)29-27-47-43(53)35-21-15-19-33-39(31-17-9-11-23-37(31)49-41(33)35)45-25-13-7-5-6-8-14-26-46-40-32-18-10-12-24-38(32)50-42-34(40)20-16-22-36(42)44(54)48-28-30-52(3)4/h9-12,15-24H,5-8,13-14,25-30H2,1-4H3,(H,45,49)(H,46,50)(H,47,53)(H,48,54)