1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-4-chloranyl-5-methyl-pyrrole-2-carbonitrile

Systemtic Name: 1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-4-chloranyl-5-methyl-pyrrole-2-carbonitrile Openeye Name: 4-chloro-1-[3-(1,3-dioxoisoindolin-2-yl)butyl]-5-methyl-pyrrole-2-carbonitrile CAS Name: 4-chloro-1-[3-(1,3-dioxo-2-isoindolyl)butyl]-5-methyl-2-pyrrolecarbonitrile IUPAC Name: 4-chloro-1-[3-(1,3-dioxoisoindol-2-yl)butyl]-5-methylpyrrole-2-carbonitrile Traditional Name: 4-chloro-5-methyl-1-(3-phthalimidobutyl)pyrrole-2-carbonitrile Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCC(C)N2C(=O)C3=CC=CC=C3C2=O)C#N)Cl

Isomeric SMILES

CC1=C(C=C(N1CCC(C)N2C(=O)C3=CC=CC=C3C2=O)C#N)Cl

InChI

InChI=1S/C18H16ClN3O2/c1-11(7-8-21-12(2)16(19)9-13(21)10-20)22-17(23)14-5-3-4-6-15(14)18(22)24/h3-6,9,11H,7-8H2,1-2H3