11-(hexadecylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile

Systemtic Name: 11-(hexadecylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Openeye Name: 11-(hexadecylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile CAS Name: 11-(hexadecylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile IUPAC Name: 11-(hexadecylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Traditional Name: 11-(cetylamino)-7,8,9,10-tetrahydrobenzimidazol[1,2-b]isoquinoline-6-carbonitrile Formula: C32H46N4 MolecularWeight: 486.73444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C2CCCCC2=C(C3=NC4=CC=CC=C4N13)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C2CCCCC2=C(C3=NC4=CC=CC=C4N13)C#N

InChI

InChI=1S/C32H46N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-34-31-27-21-16-15-20-26(27)28(25-33)32-35-29-22-17-18-23-30(29)36(31)32/h17-18,22-23,34H,2-16,19-21,24H2,1H3