1-[[(4S)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]cyclohexane-1-carbonitrile

Systemtic Name: 1-[[(4S)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]cyclohexane-1-carbonitrile Openeye Name: 1-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]cyclohexanecarbonitrile CAS Name: 1-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]-1-cyclohexanecarbonitrile IUPAC Name: 1-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]cyclohexane-1-carbonitrile Traditional Name: 1-[[(4S)-1,3-diketo-2-p-phenetyl-4H-isoquinolin-4-yl]methyleneamino]cyclohexanecarbonitrile Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NC4(CCCCC4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NC4(CCCCC4)C#N

InChI

InChI=1S/C25H25N3O3/c1-2-31-19-12-10-18(11-13-19)28-23(29)21-9-5-4-8-20(21)22(24(28)30)16-27-25(17-26)14-6-3-7-15-25/h4-5,8-13,16,22H,2-3,6-7,14-15H2,1H3/t22-/m1/s1