1-[2-azanyl-6-[(phenylmethyl)amino]hexanoyl]-2,5-dihydropyrrole-2-carbonitrile

Systemtic Name: 1-[2-azanyl-6-[(phenylmethyl)amino]hexanoyl]-2,5-dihydropyrrole-2-carbonitrile Openeye Name: 1-[2-amino-6-(benzylamino)hexanoyl]-2,5-dihydropyrrole-2-carbonitrile CAS Name: 1-[2-amino-1-oxo-6-[(phenylmethyl)amino]hexyl]-2,5-dihydropyrrole-2-carbonitrile IUPAC Name: 1-[2-amino-6-(benzylamino)hexanoyl]-2,5-dihydropyrrole-2-carbonitrile Traditional Name: 1-[2-amino-6-(benzylamino)hexanoyl]-3-pyrroline-2-carbonitrile Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(N1C(=O)C(CCCCNCC2=CC=CC=C2)N)C#N

Isomeric SMILES

C1C=CC(N1C(=O)C(CCCCNCC2=CC=CC=C2)N)C#N

InChI

InChI=1S/C18H24N4O/c19-13-16-9-6-12-22(16)18(23)17(20)10-4-5-11-21-14-15-7-2-1-3-8-15/h1-3,6-9,16-17,21H,4-5,10-12,14,20H2