3-methyl-1-(octadecylamino)-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-(octadecylamino)-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-benzyl-3-methyl-1-(octadecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-(octadecylamino)-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-benzyl-3-methyl-1-(octadecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-benzyl-3-methyl-1-(stearylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C38H52N4 MolecularWeight: 564.84628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC4=CC=CC=C4

InChI

InChI=1S/C38H52N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-40-37-33(29-32-24-19-18-20-25-32)31(2)34(30-39)38-41-35-26-21-22-27-36(35)42(37)38/h18-22,24-27,40H,3-17,23,28-29H2,1-2H3