1-(1-adamantylamino)-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-(1-adamantylamino)-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(1-adamantylamino)-3-methyl-2-(p-tolylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(1-adamantylamino)-3-methyl-2-[(4-methylphenyl)methyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(1-adamantylamino)-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(1-adamantylamino)-3-methyl-2-(4-methylbenzyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C31H32N4 MolecularWeight: 460.61258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N3C4=CC=CC=C4N=C3C(=C2C)C#N)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N3C4=CC=CC=C4N=C3C(=C2C)C#N)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H32N4/c1-19-7-9-21(10-8-19)14-25-20(2)26(18-32)29-33-27-5-3-4-6-28(27)35(29)30(25)34-31-15-22-11-23(16-31)13-24(12-22)17-31/h3-10,22-24,34H,11-17H2,1-2H3