5-[4-(phenylmethyl)piperazin-1-yl]-1-prop-2-enyl-azepan-2-one

Systemtic Name: 5-[4-(phenylmethyl)piperazin-1-yl]-1-prop-2-enyl-azepan-2-one Openeye Name: 1-allyl-5-(4-benzylpiperazin-1-yl)azepan-2-one CAS Name: 5-[4-(phenylmethyl)-1-piperazinyl]-1-prop-2-enyl-2-azepanone IUPAC Name: 5-(4-benzylpiperazin-1-yl)-1-prop-2-enylazepan-2-one Traditional Name: 1-allyl-5-(4-benzylpiperazino)azepan-2-one Formula: C20H29N3O MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC(CCC1=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1CCC(CCC1=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29N3O/c1-2-11-23-12-10-19(8-9-20(23)24)22-15-13-21(14-16-22)17-18-6-4-3-5-7-18/h2-7,19H,1,8-17H2