4-[(3-methylimidazol-4-yl)methyl-[2-[(3-pyrrol-1-ylphenyl)methylamino]ethyl]amino]benzenecarbonitrile

Systemtic Name: 4-[(3-methylimidazol-4-yl)methyl-[2-[(3-pyrrol-1-ylphenyl)methylamino]ethyl]amino]benzenecarbonitrile Openeye Name: 4-[(3-methylimidazol-4-yl)methyl-[2-[(3-pyrrol-1-ylphenyl)methylamino]ethyl]amino]benzonitrile CAS Name: 4-[(3-methyl-4-imidazolyl)methyl-[2-[[3-(1-pyrrolyl)phenyl]methylamino]ethyl]amino]benzonitrile IUPAC Name: 4-[(3-methylimidazol-4-yl)methyl-[2-[(3-pyrrol-1-ylphenyl)methylamino]ethyl]amino]benzonitrile Traditional Name: 4-[(3-methylimidazol-4-yl)methyl-[2-[(3-pyrrol-1-ylbenzyl)amino]ethyl]amino]benzonitrile Formula: C25H26N6 MolecularWeight: 410.51414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN(CCNCC2=CC(=CC=C2)N3C=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C=NC=C1CN(CCNCC2=CC(=CC=C2)N3C=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26N6/c1-29-20-28-18-25(29)19-31(23-9-7-21(16-26)8-10-23)14-11-27-17-22-5-4-6-24(15-22)30-12-2-3-13-30/h2-10,12-13,15,18,20,27H,11,14,17,19H2,1H3