(E)-1-(3-azanyl-1-piperidin-4-yl-azepan-2-yl)-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-(3-azanyl-1-piperidin-4-yl-azepan-2-yl)-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[3-amino-1-(4-piperidyl)azepan-2-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[3-amino-1-(4-piperidinyl)-2-azepanyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-(3-amino-1-piperidin-4-ylazepan-2-yl)-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[3-amino-1-(4-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)C3CCNCC3

Isomeric SMILES

C1CCN(C(C(C1)N)C(=O)/C=C/C2=CC=CC=C2)C3CCNCC3

InChI

InChI=1S/C20H29N3O/c21-18-8-4-5-15-23(17-11-13-22-14-12-17)20(18)19(24)10-9-16-6-2-1-3-7-16/h1-3,6-7,9-10,17-18,20,22H,4-5,8,11-15,21H2/b10-9+