2-methyl-3-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzenecarbonitrile

Systemtic Name: 2-methyl-3-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzenecarbonitrile Openeye Name: 4-(2-isopropoxyphenyl)-2-methyl-3-piperazin-1-yl-benzonitrile CAS Name: 2-methyl-3-(1-piperazinyl)-4-(2-propan-2-yloxyphenyl)benzonitrile IUPAC Name: 2-methyl-3-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzonitrile Traditional Name: 4-(2-isopropoxyphenyl)-2-methyl-3-piperazino-benzonitrile Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N2CCNCC2)C3=CC=CC=C3OC(C)C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1N2CCNCC2)C3=CC=CC=C3OC(C)C)C#N

InChI

InChI=1S/C21H25N3O/c1-15(2)25-20-7-5-4-6-18(20)19-9-8-17(14-22)16(3)21(19)24-12-10-23-11-13-24/h4-9,15,23H,10-13H2,1-3H3