4-[10,15-bis(4-cyanophenyl)-23,24-dihydro-21H-corrin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[10,15-bis(4-cyanophenyl)-23,24-dihydro-21H-corrin-5-yl]benzenecarbonitrile Openeye Name: 4-[10,15-bis(4-cyanophenyl)-23,24-dihydro-21H-corrin-5-yl]benzonitrile CAS Name: 4-[10,15-bis(4-cyanophenyl)-23,24-dihydro-21H-corrin-5-yl]benzonitrile IUPAC Name: 4-[10,15-bis(4-cyanophenyl)-23,24-dihydro-21H-corrin-5-yl]benzonitrile Traditional Name: 4-[10,15-bis(4-cyanophenyl)-23,24-dihydro-21H-corrin-5-yl]benzonitrile Formula: C40H23N7 MolecularWeight: 601.65752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#N)C8=CC=C(C=C8)C#N)N3

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#N)C8=CC=C(C=C8)C#N)N3

InChI

InChI=1S/C40H23N7/c41-21-24-1-7-27(8-2-24)38-32-15-13-30(44-32)31-14-16-33(45-31)39(28-9-3-25(22-42)4-10-28)35-18-20-37(47-35)40(36-19-17-34(38)46-36)29-11-5-26(23-43)6-12-29/h1-20,44-46H