3-[5,15-bis(4-methylphenyl)-22,24-dihydro-21H-corrin-10-yl]benzenecarbonitrile

Systemtic Name: 3-[5,15-bis(4-methylphenyl)-22,24-dihydro-21H-corrin-10-yl]benzenecarbonitrile Openeye Name: 3-[5,15-bis(p-tolyl)-22,24-dihydro-21H-corrin-10-yl]benzonitrile CAS Name: 3-[5,15-bis(4-methylphenyl)-22,24-dihydro-21H-corrin-10-yl]benzonitrile IUPAC Name: 3-[5,15-bis(4-methylphenyl)-22,24-dihydro-21H-corrin-10-yl]benzonitrile Traditional Name: 3-[5,15-bis(p-tolyl)-22,24-dihydro-21H-corrin-10-yl]benzonitrile Formula: C40H29N5 MolecularWeight: 579.69176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C6=CC=C2N6)C7=CC=C(C=C7)C)C=C4)C8=CC=CC(=C8)C#N)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C6=CC=C2N6)C7=CC=C(C=C7)C)C=C4)C8=CC=CC(=C8)C#N)N3

InChI

InChI=1S/C40H29N5/c1-24-6-10-27(11-7-24)38-32-16-14-30(42-32)31-15-17-33(43-31)39(28-12-8-25(2)9-13-28)35-19-21-37(45-35)40(36-20-18-34(38)44-36)29-5-3-4-26(22-29)23-41/h3-22,42-44H,1-2H3