N4,N5-bis[4-(3-imidazol-1-ylpropanoylamino)phenyl]-9-oxidanylidene-10H-acridine-4,5-dicarboxamide

Systemtic Name: N4,N5-bis[4-(3-imidazol-1-ylpropanoylamino)phenyl]-9-oxidanylidene-10H-acridine-4,5-dicarboxamide Openeye Name: N4,N5-bis[4-(3-imidazol-1-ylpropanoylamino)phenyl]-9-oxo-10H-acridine-4,5-dicarboxamide CAS Name: N4,N5-bis[4-[[3-(1-imidazolyl)-1-oxopropyl]amino]phenyl]-9-oxo-10H-acridine-4,5-dicarboxamide IUPAC Name: 4-N,5-N-bis[4-(3-imidazol-1-ylpropanoylamino)phenyl]-9-oxo-10H-acridine-4,5-dicarboxamide Traditional Name: N,N'-bis[4-(3-imidazol-1-ylpropanoylamino)phenyl]-9-keto-10H-acridine-4,5-dicarboxamide Formula: C39H33N9O5 MolecularWeight: 707.73662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)NC(=O)CCN4C=CN=C4)NC5=C(C2=O)C=CC=C5C(=O)NC6=CC=C(C=C6)NC(=O)CCN7C=CN=C7

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)NC(=O)CCN4C=CN=C4)NC5=C(C2=O)C=CC=C5C(=O)NC6=CC=C(C=C6)NC(=O)CCN7C=CN=C7

InChI

InChI=1S/C39H33N9O5/c49-33(15-19-47-21-17-40-23-47)42-25-7-11-27(12-8-25)44-38(52)31-5-1-3-29-35(31)46-36-30(37(29)51)4-2-6-32(36)39(53)45-28-13-9-26(10-14-28)43-34(50)16-20-48-22-18-41-24-48/h1-14,17-18,21-24H,15-16,19-20H2,(H,42,49)(H,43,50)(H,44,52)(H,45,53)(H,46,51)