3-[(4-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl)oxymethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl)oxymethyl]benzenecarbonitrile Openeye Name: 3-[(4-piperazin-1-ylchroman-3-yl)oxymethyl]benzonitrile CAS Name: 3-[[4-(1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxymethyl]benzonitrile IUPAC Name: 3-[(4-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl)oxymethyl]benzonitrile Traditional Name: 3-[(4-piperazinochroman-3-yl)oxymethyl]benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2C(COC3=CC=CC=C23)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1)C2C(COC3=CC=CC=C23)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H23N3O2/c22-13-16-4-3-5-17(12-16)14-25-20-15-26-19-7-2-1-6-18(19)21(20)24-10-8-23-9-11-24/h1-7,12,20-21,23H,8-11,14-15H2