2-[(E)-azepan-1-ylmethylideneamino]-1-(furan-2-ylmethyl)-4,5-diphenyl-pyrrole-3-carbonitrile

Systemtic Name: 2-[(E)-azepan-1-ylmethylideneamino]-1-(furan-2-ylmethyl)-4,5-diphenyl-pyrrole-3-carbonitrile Openeye Name: 2-[(E)-azepan-1-ylmethyleneamino]-1-(2-furylmethyl)-4,5-diphenyl-pyrrole-3-carbonitrile CAS Name: 2-[(E)-1-azepanylmethylideneamino]-1-(2-furanylmethyl)-4,5-diphenyl-3-pyrrolecarbonitrile IUPAC Name: 2-[(E)-azepan-1-ylmethylideneamino]-1-(furan-2-ylmethyl)-4,5-diphenylpyrrole-3-carbonitrile Traditional Name: 2-[(E)-azepan-1-ylmethyleneamino]-1-(2-furfuryl)-4,5-diphenyl-pyrrole-3-carbonitrile Formula: C29H28N4O MolecularWeight: 448.55882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C=NC2=C(C(=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCCN(CC1)/C=N/C2=C(C(=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C29H28N4O/c30-20-26-27(23-12-5-3-6-13-23)28(24-14-7-4-8-15-24)33(21-25-16-11-19-34-25)29(26)31-22-32-17-9-1-2-10-18-32/h3-8,11-16,19,22H,1-2,9-10,17-18,21H2/b31-22+