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

Systemtic Name: 1-[[(4S)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]cyclopentane-1-carbonitrile Openeye Name: 1-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]cyclopentanecarbonitrile CAS Name: 1-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]-1-cyclopentanecarbonitrile IUPAC Name: 1-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]cyclopentane-1-carbonitrile Traditional Name: 1-[[(4S)-1,3-diketo-2-p-phenetyl-4H-isoquinolin-4-yl]methyleneamino]cyclopentanecarbonitrile Formula: C24H23N3O3 MolecularWeight: 401.45772

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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(CCCC4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NC4(CCCC4)C#N

InChI

InChI=1S/C24H23N3O3/c1-2-30-18-11-9-17(10-12-18)27-22(28)20-8-4-3-7-19(20)21(23(27)29)15-26-24(16-25)13-5-6-14-24/h3-4,7-12,15,21H,2,5-6,13-14H2,1H3/t21-/m1/s1