5-[(10-chloranylanthracen-9-yl)methylamino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[(10-chloranylanthracen-9-yl)methylamino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[(10-chloro-9-anthryl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-[(10-chloro-9-anthracenyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[(10-chloroanthracen-9-yl)methylamino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[(10-chloro-9-anthryl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C31H33ClN2O2 MolecularWeight: 501.05892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCNCC1=C2C=CC=CC2=C(C3=CC=CC=C31)Cl)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(CCCNCC1=C2C=CC=CC2=C(C3=CC=CC=C31)Cl)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C31H33ClN2O2/c1-21(2)31(20-33,22-14-15-28(35-3)29(18-22)36-4)16-9-17-34-19-27-23-10-5-7-12-25(23)30(32)26-13-8-6-11-24(26)27/h5-8,10-15,18,21,34H,9,16-17,19H2,1-4H3