(Z,2S)-2-(azepan-1-yl)-4-phenyl-1-piperazin-1-yl-but-3-en-1-one

Systemtic Name: (Z,2S)-2-(azepan-1-yl)-4-phenyl-1-piperazin-1-yl-but-3-en-1-one Openeye Name: (Z,2S)-2-(azepan-1-yl)-4-phenyl-1-piperazin-1-yl-but-3-en-1-one CAS Name: (Z,2S)-2-(1-azepanyl)-4-phenyl-1-(1-piperazinyl)-3-buten-1-one IUPAC Name: (Z,2S)-2-(azepan-1-yl)-4-phenyl-1-piperazin-1-ylbut-3-en-1-one Traditional Name: (Z,2S)-2-(azepan-1-yl)-4-phenyl-1-piperazino-but-3-en-1-one Formula: C20H29N3O MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(C=CC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C1CCCN(CC1)[C@@H](/C=C\C2=CC=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C20H29N3O/c24-20(23-16-12-21-13-17-23)19(22-14-6-1-2-7-15-22)11-10-18-8-4-3-5-9-18/h3-5,8-11,19,21H,1-2,6-7,12-17H2/b11-10-/t19-/m0/s1