5-[3-[(4-butylphenyl)amino]-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 5-[3-[(4-butylphenyl)amino]-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 5-[3-(4-butylanilino)-2-hydroxy-propyl]-3-methyl-1-oxo-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 5-[3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 5-[3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 5-[3-(4-butylanilino)-2-hydroxy-propyl]-1-keto-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NCC(CN2C3=CC=CC=C3N4C2=C(C(=CC4=O)C)C#N)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NCC(CN2C3=CC=CC=C3N4C2=C(C(=CC4=O)C)C#N)O

InChI

InChI=1S/C26H28N4O2/c1-3-4-7-19-10-12-20(13-11-19)28-16-21(31)17-29-23-8-5-6-9-24(23)30-25(32)14-18(2)22(15-27)26(29)30/h5-6,8-14,21,28,31H,3-4,7,16-17H2,1-2H3