(E)-1-(3-azanyl-1-piperidin-3-yl-azepan-2-yl)-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-(3-azanyl-1-piperidin-3-yl-azepan-2-yl)-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[3-amino-1-(3-piperidyl)azepan-2-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[3-amino-1-(3-piperidinyl)-2-azepanyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-(3-amino-1-piperidin-3-ylazepan-2-yl)-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[3-amino-1-(3-piperidyl)azepan-2-yl]-3-phenyl-prop-2-en-1-one Formula: C20H29N3O MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C(C1)N)C(=O)C=CC2=CC=CC=C2)C3CCCNC3

Isomeric SMILES

C1CCN(C(C(C1)N)C(=O)/C=C/C2=CC=CC=C2)C3CCCNC3

InChI

InChI=1S/C20H29N3O/c21-18-10-4-5-14-23(17-9-6-13-22-15-17)20(18)19(24)12-11-16-7-2-1-3-8-16/h1-3,7-8,11-12,17-18,20,22H,4-6,9-10,13-15,21H2/b12-11+