1-(hexadecylamino)-3-propan-2-yl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-(hexadecylamino)-3-propan-2-yl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(hexadecylamino)-3-isopropyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(hexadecylamino)-3-propan-2-yl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(hexadecylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(cetylamino)-3-isopropyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C31H46N4 MolecularWeight: 474.72374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C(C)C

InChI

InChI=1S/C31H46N4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-33-30-23-26(25(2)3)27(24-32)31-34-28-20-17-18-21-29(28)35(30)31/h17-18,20-21,23,25,33H,4-16,19,22H2,1-3H3