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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(octadecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(octadecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(octadecylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(octadecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-(4-chlorobenzyl)-3-methyl-1-(stearylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C38H51ClN4 MolecularWeight: 599.29134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H51ClN4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-41-37-33(28-31-23-25-32(39)26-24-31)30(2)34(29-40)38-42-35-21-18-19-22-36(35)43(37)38/h18-19,21-26,41H,3-17,20,27-28H2,1-2H3