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

Systemtic Name: 2-ethyl-3-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzenecarbonitrile Openeye Name: 2-ethyl-4-(2-isopropoxyphenyl)-3-piperazin-1-yl-benzonitrile CAS Name: 2-ethyl-3-(1-piperazinyl)-4-(2-propan-2-yloxyphenyl)benzonitrile IUPAC Name: 2-ethyl-3-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)benzonitrile Traditional Name: 2-ethyl-4-(2-isopropoxyphenyl)-3-piperazino-benzonitrile Formula: C22H27N3O MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1N2CCNCC2)C3=CC=CC=C3OC(C)C)C#N

Isomeric SMILES

CCC1=C(C=CC(=C1N2CCNCC2)C3=CC=CC=C3OC(C)C)C#N

InChI

InChI=1S/C22H27N3O/c1-4-18-17(15-23)9-10-20(22(18)25-13-11-24-12-14-25)19-7-5-6-8-21(19)26-16(2)3/h5-10,16,24H,4,11-14H2,1-3H3