2-(4-heptoxyphenyl)carbonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(4-heptoxyphenyl)carbonyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(4-heptoxybenzoyl)-1H-isoquinoline-1-carbonitrile CAS Name: 2-[(4-heptoxyphenyl)-oxomethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(4-heptoxybenzoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(4-heptoxybenzoyl)-1H-isoquinoline-1-carbonitrile Formula: C24H26N2O2 MolecularWeight: 374.47544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2C#N

InChI

InChI=1S/C24H26N2O2/c1-2-3-4-5-8-17-28-21-13-11-20(12-14-21)24(27)26-16-15-19-9-6-7-10-22(19)23(26)18-25/h6-7,9-16,23H,2-5,8,17H2,1H3