4-[2-[(1-adamantylamino)methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(1-adamantylamino)methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[(1-adamantylamino)methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[(1-adamantylamino)methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[(1-adamantylamino)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-[(1-adamantylamino)methyl]pyrrol-1-yl]benzonitrile Formula: C22H25N3 MolecularWeight: 331.454

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC4=CC=CN4C5=CC=C(C=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=CC=CN4C5=CC=C(C=C5)C#N

InChI

InChI=1S/C22H25N3/c23-14-16-3-5-20(6-4-16)25-7-1-2-21(25)15-24-22-11-17-8-18(12-22)10-19(9-17)13-22/h1-7,17-19,24H,8-13,15H2