2-[4-[(1-butyl-7-chloranyl-5-methyl-indol-2-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(1-butyl-7-chloranyl-5-methyl-indol-2-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(1-butyl-7-chloro-5-methyl-indol-2-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(1-butyl-7-chloro-5-methyl-2-indolyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1-butyl-7-chloro-5-methylindol-2-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(1-butyl-7-chloro-5-methyl-indol-2-yl)methyl]phenyl]benzonitrile Formula: C27H25ClN2 MolecularWeight: 412.9538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC2=CC(=CC(=C21)Cl)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCN1C(=CC2=CC(=CC(=C21)Cl)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H25ClN2/c1-3-4-13-30-24(17-23-14-19(2)15-26(28)27(23)30)16-20-9-11-21(12-10-20)25-8-6-5-7-22(25)18-29/h5-12,14-15,17H,3-4,13,16H2,1-2H3