N,N-bis[3-(acridin-9-ylamino)propyl]-4-azido-benzamide dihydrochloride

Systemtic Name: N,N-bis[3-(acridin-9-ylamino)propyl]-4-azido-benzamide dihydrochloride Openeye Name: N,N-bis[3-(acridin-9-ylamino)propyl]-4-azido-benzamide dihydrochloride CAS Name: N,N-bis[3-(9-acridinylamino)propyl]-4-azidobenzamide dihydrochloride IUPAC Name: N,N-bis[3-(acridin-9-ylamino)propyl]-4-azidobenzamide dihydrochloride Traditional Name: N,N-bis[3-(acridin-9-ylamino)propyl]-4-azido-benzamide dihydrochloride Formula: C39H36Cl2N8O MolecularWeight: 703.66214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCN(CCCNC4=C5C=CC=CC5=NC6=CC=CC=C64)C(=O)C7=CC=C(C=C7)N=[N+]=[N-].Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCN(CCCNC4=C5C=CC=CC5=NC6=CC=CC=C64)C(=O)C7=CC=C(C=C7)N=[N+]=[N-].Cl.Cl

InChI

InChI=1S/C39H34N8O.2ClH/c40-46-45-28-21-19-27(20-22-28)39(48)47(25-9-23-41-37-29-11-1-5-15-33(29)43-34-16-6-2-12-30(34)37)26-10-24-42-38-31-13-3-7-17-35(31)44-36-18-8-4-14-32(36)38;;/h1-8,11-22H,9-10,23-26H2,(H,41,43)(H,42,44);2*1H