3-[10,15-bis(3-cyanophenyl)-23,24-dihydro-21H-corrin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[10,15-bis(3-cyanophenyl)-23,24-dihydro-21H-corrin-5-yl]benzenecarbonitrile Openeye Name: 3-[10,15-bis(3-cyanophenyl)-23,24-dihydro-21H-corrin-5-yl]benzonitrile CAS Name: 3-[10,15-bis(3-cyanophenyl)-23,24-dihydro-21H-corrin-5-yl]benzonitrile IUPAC Name: 3-[10,15-bis(3-cyanophenyl)-23,24-dihydro-21H-corrin-5-yl]benzonitrile Traditional Name: 3-[10,15-bis(3-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(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC(=C7)C#N)C8=CC=CC(=C8)C#N)N3)C#N

Isomeric SMILES

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

InChI

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