6-azanyl-4-[4-(diphenylmethyl)piperazin-1-yl]-2-(5-methoxypyridin-3-yl)hex-1-en-3-one

Systemtic Name: 6-azanyl-4-[4-(diphenylmethyl)piperazin-1-yl]-2-(5-methoxypyridin-3-yl)hex-1-en-3-one Openeye Name: 6-amino-4-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-3-pyridyl)hex-1-en-3-one CAS Name: 6-amino-4-[4-(diphenylmethyl)-1-piperazinyl]-2-(5-methoxy-3-pyridinyl)-1-hexen-3-one IUPAC Name: 6-amino-4-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxypyridin-3-yl)hex-1-en-3-one Traditional Name: 6-amino-4-(4-benzhydrylpiperazino)-2-(5-methoxy-3-pyridyl)hex-1-en-3-one Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CC(=C1)C(=C)C(=O)C(CCN)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN=CC(=C1)C(=C)C(=O)C(CCN)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H34N4O2/c1-22(25-19-26(35-2)21-31-20-25)29(34)27(13-14-30)32-15-17-33(18-16-32)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,19-21,27-28H,1,13-18,30H2,2H3