(1S)-2-(4-pentylphenyl)carbonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S)-2-(4-pentylphenyl)carbonyl-1H-isoquinoline-1-carbonitrile Openeye Name: (1S)-2-(4-pentylbenzoyl)-1H-isoquinoline-1-carbonitrile CAS Name: (1S)-2-[oxo-(4-pentylphenyl)methyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S)-2-(4-pentylbenzoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: (1S)-2-(4-amylbenzoyl)-1H-isoquinoline-1-carbonitrile Formula: C22H22N2O MolecularWeight: 330.42288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3[C@H]2C#N

InChI

InChI=1S/C22H22N2O/c1-2-3-4-7-17-10-12-19(13-11-17)22(25)24-15-14-18-8-5-6-9-20(18)21(24)16-23/h5-6,8-15,21H,2-4,7H2,1H3/t21-/m1/s1